Deep Learning approaches are becoming the go-to methods for data analysis in High Energy Physics (HEP). Nonetheless, most physics-inspired modern architectures are computationally inefficient and lack interpretability. This is especially the case with jet tagging algorithms, where computational efficiency is crucial considering the large amounts of data produced by modern particle detectors. In this work, we present a novel, versatile and transparent framework for jet representation; invariant to Lorentz group boosts, which achieves high accuracy on jet tagging benchmarks while being orders of magnitudes faster to train and evaluate than other modern approaches for both supervised and unsupervised schemes.

Truncated linear regression is a classical challenge in Statistics, wherein a label, $y = w^T x + \varepsilon$, and its corresponding feature vector, $x \in \mathbb{R}^k$, are only observed if the label falls in some subset $S \subseteq \mathbb{R}$; otherwise the existence of the pair $(x, y)$ is hidden from observation. Linear regression with truncated observations has remained a challenge, in its general form, since the early works of~\citet{tobin1958estimation,amemiya1973regression}. When the distribution of the error is normal with known variance, recent work of~\citet{daskalakis2019truncatedregression} provides computationally and statistically efficient estimators of the linear model, $w$. In this paper, we provide the first computationally and statistically efficient estimators for truncated linear regression when the noise variance is unknown, estimating both the linear model and the variance of the noise. Our estimator is based on an efficient implementation of Projected Stochastic Gradient Descent on the negative log-likelihood of the truncated sample. Importantly, we show that the error of our estimates is asymptotically normal, and we use this to provide explicit confidence regions for our estimates.

Graph-based anomaly detection has been widely used for detecting malicious activities in real-world applications. Existing attempts to address this problem have thus far focused on structural feature engineering or learning in the binary classification regime. In this work, we propose to leverage graph contrastive coding and present the supervised GCCAD model for contrasting abnormal nodes with normal ones in terms of their distances to the global context (e.g., the average of all nodes). To handle scenarios with scarce labels, we further enable GCCAD as a self-supervised framework by designing a graph corrupting strategy for generating synthetic node labels. To achieve the contrastive objective, we design a graph neural network encoder that can infer and further remove suspicious links during message passing, as well as learn the global context of the input graph. We conduct extensive experiments on four public datasets, demonstrating that 1) GCCAD significantly and consistently outperforms various advanced baselines and 2) its self-supervised version without fine-tuning can achieve comparable performance with its fully supervised version.

We propose a novel machine learning method for sampling from the high-dimensional probability distributions of Lattice Quantum Field Theories. Instead of the deep architectures used so far for this task, our proposal is based on a single neural ODE layer and incorporates the full symmetries of the problem. We test our model on the $\phi^4$ theory, showing that it systematically outperforms previously proposed flow-based methods in sampling efficiency, and the improvement is especially pronounced for larger lattices. Compared to the previous baseline model, we improve a key metric, the effective sample size, from 1% to 91% on a lattice of size $32\times 32$. We also demonstrate that our model can successfully learn a continuous family of theories at once, and the results of learning can be transferred to larger lattices. Such generalization capacities further accentuate the potential advantages of machine learning methods compared to traditional MCMC-based methods.

Motivated by online decision-making in time-varying combinatorial environments, we study the problem of transforming offline algorithms to their online counterparts. We focus on offline combinatorial problems that are amenable to a constant factor approximation using a greedy algorithm that is robust to local errors. For such problems, we provide a general framework that efficiently transforms offline robust greedy algorithms to online ones using Blackwell approachability. We show that the resulting online algorithms have $O(\sqrt{T})$ (approximate) regret under the full information setting. We further introduce a bandit extension of Blackwell approachability that we call Bandit Blackwell approachability. We leverage this notion to transform greedy robust offline algorithms into a $O(T^{2/3})$ (approximate) regret in the bandit setting. Demonstrating the flexibility of our framework, we apply our offline-to-online transformation to several problems at the intersection of revenue management, market design, and online optimization, including product ranking optimization in online platforms, reserve price optimization in auctions, and submodular maximization. We also extend our reduction to greedy-like first order methods used in continuous optimization, such as those used for maximizing continuous strong DR monotone submodular functions subject to convex constraints. We show that our transformation, when applied to these applications, leads to new regret bounds or improves the current known bounds. We complement our theoretical studies by conducting numerical simulations for two of our applications, in both of which we observe that the numerical performance of our transformations outperforms the theoretical guarantees in practical instances.

Assessing the structure of a building with non-invasive methods is an important problem. One of the possible approaches is to use GeoRadar to examine wall structures by analyzing the data obtained from the scans. We propose a data-driven approach to evaluate the material composition of a wall from its GPR radargrams. In order to generate training data, we use gprMax to model the scanning process. Using simulation data, we use a convolutional neural network to predict the thicknesses and dielectric properties of walls per layer. We evaluate the generalization abilities of the trained model on data collected from real buildings.

Selective classification allows models to abstain from making predictions (e.g., say "I don't know") when in doubt in order to obtain better effective accuracy. While typical selective models can be effective at producing more accurate predictions on average, they may still allow for wrong predictions that have high confidence, or skip correct predictions that have low confidence. Providing calibrated uncertainty estimates alongside predictions -- probabilities that correspond to true frequencies -- can be as important as having predictions that are simply accurate on average. However, uncertainty estimates can be unreliable for certain inputs. In this paper, we develop a new approach to selective classification in which we propose a method for rejecting examples with "uncertain" uncertainties. By doing so, we aim to make predictions with {well-calibrated} uncertainty estimates over the distribution of accepted examples, a property we call selective calibration. We present a framework for learning selectively calibrated models, where a separate selector network is trained to improve the selective calibration error of a given base model. In particular, our work focuses on achieving robust calibration, where the model is intentionally designed to be tested on out-of-domain data. We achieve this through a training strategy inspired by distributionally robust optimization, in which we apply simulated input perturbations to the known, in-domain training data. We demonstrate the empirical effectiveness of our approach on multiple image classification and lung cancer risk assessment tasks.

Latent Dirichlet Allocation (LDA) is a probabilistic model used to uncover latent topics in a corpus of documents. Inference is often performed using variational Bayes (VB) algorithms, which calculate a lower bound to the posterior distribution over the parameters. Deriving the variational update equations for new models requires considerable manual effort; variational message passing (VMP) has emerged as a "black-box" tool to expedite the process of variational inference. But applying VMP in practice still presents subtle challenges, and the existing literature does not contain the steps that are necessary to implement VMP for the standard smoothed LDA model, nor are available black-box probabilistic graphical modelling software able to do the word-topic updates necessary to implement LDA. In this paper, we therefore present a detailed derivation of the VMP update equations for LDA. We see this as a first step to enabling other researchers to calculate the VMP updates for similar graphical models.

Outlier detection refers to the identification of data points that deviate from a general data distribution. Existing unsupervised approaches often suffer from high computational cost, complex hyperparameter tuning, and limited interpretability, especially when working with large, high-dimensional datasets. To address these issues, we present a simple yet effective algorithm called ECOD (Empirical-Cumulative-distribution-based Outlier Detection), which is inspired by the fact that outliers are often the "rare events" that appear in the tails of a distribution. In a nutshell, ECOD first estimates the underlying distribution of the input data in a nonparametric fashion by computing the empirical cumulative distribution per dimension of the data. ECOD then uses these empirical distributions to estimate tail probabilities per dimension for each data point. Finally, ECOD computes an outlier score of each data point by aggregating estimated tail probabilities across dimensions. Our contributions are as follows: (1) we propose a novel outlier detection method called ECOD, which is both parameter-free and easy to interpret; (2) we perform extensive experiments on 30 benchmark datasets, where we find that ECOD outperforms 11 state-of-the-art baselines in terms of accuracy, efficiency, and scalability; and (3) we release an easy-to-use and scalable (with distributed support) Python implementation for accessibility and reproducibility.

Wasserstein-Fisher-Rao (WFR) distance is a family of metrics to gauge the discrepancy of two Radon measures, which takes into account both transportation and weight change. Spherical WFR distance is a projected version of WFR distance for probability measures so that the space of Radon measures equipped with WFR can be viewed as metric cone over the space of probability measures with spherical WFR. Compared to the case for Wasserstein distance, the understanding of geodesics under the spherical WFR is less clear and still an ongoing research focus. In this paper, we develop a deep learning framework to compute the geodesics under the spherical WFR metric, and the learned geodesics can be adopted to generate weighted samples. Our approach is based on a Benamou-Brenier type dynamic formulation for spherical WFR. To overcome the difficulty in enforcing the boundary constraint brought by the weight change, a Kullback-Leibler (KL) divergence term based on the inverse map is introduced into the cost function. Moreover, a new regularization term using the particle velocity is introduced as a substitute for the Hamilton-Jacobi equation for the potential in dynamic formula. When used for sample generation, our framework can be beneficial for applications with given weighted samples, especially in the Bayesian inference, compared to sample generation with previous flow models.

Can agents be trained to answer difficult mathematical questions by playing a game? We consider the integer feasibility problem, a challenge of deciding whether a system of linear equations and inequalities has a solution with integer values. This is a famous NP-complete problem with applications in many areas of Mathematics and Computer Science. Our paper describes a novel algebraic reinforcement learning framework that allows an agent to play a game equivalent to the integer feasibility problem. We explain how to transform the integer feasibility problem into a game over a set of arrays with fixed margin sums. The game starts with an initial state (an array), and by applying a legal move that leaves the margins unchanged, we aim to eventually reach a winning state with zeros in specific positions. To win the game the player must find a path between the initial state and a final terminal winning state if one exists. Finding such a winning state is equivalent to solving the integer feasibility problem. The key algebraic ingredient is a Gr\"obner basis of the toric ideal for the underlying axial transportation polyhedron. The Gr\"obner basis can be seen as a set of connecting moves (actions) of the game. We then propose a novel RL approach that trains an agent to predict moves in continuous space to cope with the large size of action space. The continuous move is then projected onto the set of legal moves so that the path always leads to valid states. As a proof of concept we demonstrate in experiments that our agent can play well the simplest version of our game for 2-way tables. Our work highlights the potential to train agents to solve non-trivial mathematical queries through contemporary machine learning methods used to train agents to play games.

The Computer-aided Diagnosis (CAD) system for skin lesion analysis is an emerging field of research that has the potential to relieve the burden and cost of skin cancer screening. Researchers have recently indicated increasing interest in developing such CAD systems, with the intention of providing a user-friendly tool to dermatologists in order to reduce the challenges that are raised by manual inspection. The purpose of this article is to provide a complete literature review of cutting-edge CAD techniques published between 2011 and 2020. The Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) method was used to identify a total of 365 publications, 221 for skin lesion segmentation and 144 for skin lesion classification. These articles are analyzed and summarized in a number of different ways so that we can contribute vital information about the methods for the evolution of CAD systems. These ways include: relevant and essential definitions and theories, input data (datasets utilization, preprocessing, augmentations, and fixing imbalance problems), method configuration (techniques, architectures, module frameworks, and losses), training tactics (hyperparameter settings), and evaluation criteria (metrics). We also intend to investigate a variety of performance-enhancing methods, including ensemble and post-processing. In addition, in this survey, we highlight the primary problems associated with evaluating skin lesion segmentation and classification systems using minimal datasets, as well as the potential solutions to these plights. In conclusion, enlightening findings, recommendations, and trends are discussed for the purpose of future research surveillance in related fields of interest. It is foreseen that it will guide researchers of all levels, from beginners to experts, in the process of developing an automated and robust CAD system for skin lesion analysis.

Rail breaks are one of the most common causes of derailments internationally. This is no different for the South African Iron Ore line. Many rail breaks occur as a heavy-haul train passes over a crack, large defect or defective weld. In such cases, it is usually too late for the train to slow down in time to prevent a de-railment. Knowing the risk of a rail break occurring associated with a train passing over a section of rail allows for better implementation of maintenance initiatives and mitigating measures. In this paper the Ore Line's specific challenges are discussed and the currently available data that can be used to create a rail break risk prediction model is reviewed. The development of a basic rail break risk prediction model for the Ore Line is then presented. Finally the insight gained from the model is demonstrated by means of discussing various scenarios of various rail break risk. In future work, we are planning on extending this basic model to allow input from live monitoring systems such as the ultrasonic broken rail detection system.

Machine learning systems are often deployed for making critical decisions like credit lending, hiring, etc. While making decisions, such systems often encode the user's demographic information (like gender, age) in their intermediate representations. This can lead to decisions that are biased towards specific demographics. Prior work has focused on debiasing intermediate representations to ensure fair decisions. However, these approaches fail to remain fair with changes in the task or demographic distribution. To ensure fairness in the wild, it is important for a system to adapt to such changes as it accesses new data in an incremental fashion. In this work, we propose to address this issue by introducing the problem of learning fair representations in an incremental learning setting. To this end, we present Fairness-aware Incremental Representation Learning (FaIRL), a representation learning system that can sustain fairness while incrementally learning new tasks. FaIRL is able to achieve fairness and learn new tasks by controlling the rate-distortion function of the learned representations. Our empirical evaluations show that FaIRL is able to make fair decisions while achieving high performance on the target task, outperforming several baselines.

Mixed Integer programs (MIPs) are typically solved by the Branch-and-Bound algorithm. Recently, Learning to imitate fast approximations of the expert strong branching heuristic has gained attention due to its success in reducing the running time for solving MIPs. However, existing learning-to-branch methods assume that the entire training data is available in a single session of training. This assumption is often not true, and if the training data is supplied in continual fashion over time, existing techniques suffer from catastrophic forgetting. In this work, we study the hitherto unexplored paradigm of Lifelong Learning to Branch on Mixed Integer Programs. To mitigate catastrophic forgetting, we propose LIMIP, which is powered by the idea of modeling an MIP instance in the form of a bipartite graph, which we map to an embedding space using a bipartite Graph Attention Network. This rich embedding space avoids catastrophic forgetting through the application of knowledge distillation and elastic weight consolidation, wherein we learn the parameters key towards retaining efficacy and are therefore protected from significant drift. We evaluate LIMIP on a series of NP-hard problems and establish that in comparison to existing baselines, LIMIP is up to 50% better when confronted with lifelong learning.

We consider the Steiner tree problem on graphs where we are given a set of nodes and the goal is to find a tree sub-graph of minimum weight that contains all nodes in the given set, potentially including additional nodes. This is a classical NP-hard combinatorial optimisation problem. In recent years, a machine learning framework called learning-to-prune has been successfully used for solving a diverse range of combinatorial optimisation problems. In this paper, we use this learning framework on the Steiner tree problem and show that even on this problem, the learning-to-prune framework results in computing near-optimal solutions at a fraction of the time required by commercial ILP solvers. Our results underscore the potential of the learning-to-prune framework in solving various combinatorial optimisation problems.

The performance of time series forecasting has recently been greatly improved by the introduction of transformers. In this paper, we propose a general multi-scale framework that can be applied to state-of-the-art transformer-based time series forecasting models including Autoformer and Informer. Using iteratively refining a forecasted time series at multiple scales with shared weights, architecture adaptations and a specially-designed normalization scheme, we are able to achieve significant performance improvements with minimal additional computational overhead. Via detailed ablation studies, we demonstrate the effectiveness of our proposed architectural and methodological innovations. Furthermore, our experiments on four public datasets show that the proposed multi-scale framework outperforms the corresponding baselines with an average improvement of 13% and 38% over Autoformer and Informer, respectively.

Common image-to-image translation methods rely on joint training over data from both source and target domains. This prevents the training process from preserving privacy of domain data (e.g., in a federated setting), and often means that a new model has to be trained for a new pair of domains. We present Dual Diffusion Implicit Bridges (DDIBs), an image translation method based on diffusion models, that circumvents training on domain pairs. Image translation with DDIBs relies on two diffusion models trained independently on each domain, and is a two-step process: DDIBs first obtain latent encodings for source images with the source diffusion model, and then decode such encodings using the target model to construct target images. Both steps are defined via an ODE, thus the process is cycle consistent only up to discretization errors of the ODE solvers. Theoretically, we interpret DDIBs as concatenation of source to latent, and latent to target Schr\"odinger Bridges, a form of entropy-regularized optimal transport, to explain the efficacy of the method. Experimentally, we apply DDIBs on both synthetic and high-resolution image datasets, to demonstrate their utility in a wide variety of translation tasks and their connections to existing optimal transport methods.

The learning of mixture models can be viewed as a clustering problem. Indeed, given data samples independently generated from a mixture of distributions, we often would like to find the {\it correct target clustering} of the samples according to which component distribution they were generated from. For a clustering problem, practitioners often choose to use the simple $k$-means algorithm. $k$-means attempts to find an {\it optimal clustering} that minimizes the sum-of-squares distance between each point and its cluster center. In this paper, we consider fundamental (i.e., information-theoretic) limits of the solutions (clusterings) obtained by optimizing the sum-of-squares distance. In particular, we provide sufficient conditions for the closeness of any optimal clustering and the correct target clustering assuming that the data samples are generated from a mixture of spherical Gaussian distributions. We also generalize our results to log-concave distributions. Moreover, we show that under similar or even weaker conditions on the mixture model, any optimal clustering for the samples with reduced dimensionality is also close to the correct target clustering. These results provide intuition for the informativeness of $k$-means (with and without dimensionality reduction) as an algorithm for learning mixture models.

Temporal graphs represent the dynamic relationships among entities and occur in many real life application like social networks, e commerce, communication, road networks, biological systems, and many more. They necessitate research beyond the work related to static graphs in terms of their generative modeling and representation learning. In this survey, we comprehensively review the neural time dependent graph representation learning and generative modeling approaches proposed in recent times for handling temporal graphs. Finally, we identify the weaknesses of existing approaches and discuss the research proposal of our recently published paper TIGGER[24].

Real-world time-series datasets often violate the assumptions of standard supervised learning for forecasting -- their distributions evolve over time, rendering the conventional training and model selection procedures suboptimal. In this paper, we propose a novel method, Self-Adaptive Forecasting (SAF), to modify the training of time-series forecasting models to improve their performance on forecasting tasks with such non-stationary time-series data. SAF integrates a self-adaptation stage prior to forecasting based on `backcasting', i.e. predicting masked inputs backward in time. This is a form of test-time training that creates a self-supervised learning problem on test samples before performing the prediction task. In this way, our method enables efficient adaptation of encoded representations to evolving distributions, leading to superior generalization. SAF can be integrated with any canonical encoder-decoder based time-series architecture such as recurrent neural networks or attention-based architectures. On synthetic and real-world datasets in domains where time-series data are known to be notoriously non-stationary, such as healthcare and finance, we demonstrate a significant benefit of SAF in improving forecasting accuracy.

Alchemy is a new meta-learning environment rich enough to contain interesting abstractions, yet simple enough to make fine-grained analysis tractable. Further, Alchemy provides an optional symbolic interface that enables meta-RL research without a large compute budget. In this work, we take the first steps toward using Symbolic Alchemy to identify design choices that enable deep-RL agents to learn various types of abstraction. Then, using a variety of behavioral and introspective analyses we investigate how our trained agents use and represent abstract task variables, and find intriguing connections to the neuroscience of abstraction. We conclude by discussing the next steps for using meta-RL and Alchemy to better understand the representation of abstract variables in the brain.

Python has become a dominant programming language for emerging areas like Machine Learning (ML), Deep Learning (DL), and Data Science (DS). An attractive feature of Python is that it provides easy-to-use programming interface while allowing library developers to enhance performance of their applications by harnessing the computing power offered by High Performance Computing (HPC) platforms. Efficient communication is key to scaling applications on parallel systems, which is typically enabled by the Message Passing Interface (MPI) standard and compliant libraries on HPC hardware. mpi4py is a Python-based communication library that provides an MPI-like interface for Python applications allowing application developers to utilize parallel processing elements including GPUs. However, there is currently no benchmark suite to evaluate communication performance of mpi4py -- and Python MPI codes in general -- on modern HPC systems. In order to bridge this gap, we propose OMB-Py -- Python extensions to the open-source OSU Micro-Benchmark (OMB) suite -- aimed to evaluate communication performance of MPI-based parallel applications in Python. To the best of our knowledge, OMB-Py is the first communication benchmark suite for parallel Python applications. OMB-Py consists of a variety of point-to-point and collective communication benchmark tests that are implemented for a range of popular Python libraries including NumPy, CuPy, Numba, and PyCUDA. Our evaluation reveals that mpi4py introduces a small overhead when compared to native MPI libraries. We plan to publicly release OMB-Py to benefit the Python HPC community.

Assessment of dietary intake has primarily relied on self-report instruments, which are prone to measurement errors. Dietary assessment methods have increasingly incorporated technological advances particularly mobile, image based approaches to address some of these limitations and further automation. Mobile, image-based methods can reduce user burden and bias by automatically estimating dietary intake from eating occasion images that are captured by mobile devices. In this paper, we propose an "Energy Density Map" which is a pixel-to-pixel mapping from the RGB image to the energy density of the food. We then incorporate the "Energy Density Map" with an associated depth map that is captured by a depth sensor to estimate the food energy. The proposed method is evaluated on the Nutrition5k dataset. Experimental results show improved results compared to baseline methods with an average error of 13.29 kCal and an average percentage error of 13.57% between the ground-truth and the estimated energy of the food.

We study the online influence maximization (OIM) problem in social networks, where the learner repeatedly chooses seed nodes to generate cascades, observes the cascade feedback, and gradually learns the best seeds that generate the largest cascade in multiple rounds. In the demand of the real world, we work with node-level feedback instead of the common edge-level feedback in the literature. The edge-level feedback reveals all edges that pass through information in a cascade, whereas the node-level feedback only reveals the activated nodes with timestamps. The node-level feedback is arguably more realistic since in practice it is relatively easy to observe who is influenced but very difficult to observe from which relationship (edge) the influence comes. Previously, there is a nearly optimal $\tilde{O}(\sqrt{T})$-regret algorithm for OIM problem under the linear threshold (LT) diffusion model with node-level feedback. It remains unknown whether the same algorithm exists for the independent cascade (IC) diffusion model. In this paper, we resolve this open problem by presenting an $\tilde{O}(\sqrt{T})$-regret algorithm for OIM problem under the IC model with node-level feedback.

There is a growing need to deploy machine learning for different tasks on a wide array of new hardware platforms. Such deployment scenarios require tackling multiple challenges, including identifying a model architecture that can achieve a suitable predictive accuracy (architecture search), and finding an efficient implementation of the model to satisfy underlying hardware-specific systems constraints such as latency (system optimization search). Existing works treat architecture search and system optimization search as separate problems and solve them sequentially. In this paper, we instead propose to solve these problems jointly, and introduce a simple but effective baseline method called SONAR that interleaves these two search problems. SONAR aims to efficiently optimize for predictive accuracy and inference latency by applying early stopping to both search processes. Our experiments on multiple different hardware back-ends show that SONAR identifies nearly optimal architectures 30 times faster than a brute force approach.

Widely used deep learning models are found to have poor robustness. Little noises can fool state-of-the-art models into making incorrect predictions. While there is a great deal of high-performance attack generation methods, most of them directly add perturbations to original data and measure them using L_p norms; this can break the major structure of data, thus, creating invalid attacks. In this paper, we propose a black-box attack, which, instead of modifying original data, modifies latent features of data extracted by an autoencoder; then, we measure noises in semantic space to protect the semantics of data. We trained autoencoders on MNIST and CIFAR-10 datasets and found optimal adversarial perturbations using a genetic algorithm. Our approach achieved a 100% attack success rate on the first 100 data of MNIST and CIFAR-10 datasets with less perturbation than FGSM.

The joint optimization of the reconstruction and classification error is a hard non convex problem, especially when a non linear mapping is utilized. In order to overcome this obstacle, a novel optimization strategy is proposed, in which a Convolutional Autoencoder for dimensionality reduction and a classifier composed by a Fully Connected Network, are combined to simultaneously produce supervised dimensionality reduction and predictions. It turned out that this methodology can also be greatly beneficial in enforcing explainability of deep learning architectures. Additionally, the resulting Latent Space, optimized for the classification task, can be utilized to improve traditional, interpretable classification algorithms. The experimental results, showed that the proposed methodology achieved competitive results against the state of the art deep learning methods, while being much more efficient in terms of parameter count. Finally, it was empirically justified that the proposed methodology introduces advanced explainability regarding, not only the data structure through the produced latent space, but also about the classification behaviour.

The 2020 US Census will be published with differential privacy, implemented by injecting synthetic noise into the data. Controversy has ensued, with debates that center on the painful trade-off between the privacy of respondents and the precision of economic analysis. Is this trade-off inevitable? To answer this question, we formulate a semiparametric model of causal inference with high dimensional data that may be noisy, missing, discretized, or privatized. We propose a new end-to-end procedure for data cleaning, estimation, and inference with data cleaning-adjusted confidence intervals. We prove consistency, Gaussian approximation, and semiparametric efficiency by finite sample arguments. The rate of Gaussian approximation is $n^{-1/2}$ for semiparametric estimands such as average treatment effect, and it degrades gracefully for nonparametric estimands such as heterogeneous treatment effect. Our key assumption is that the true covariates are approximately low rank, which we interpret as approximate repeated measurements and validate in the Census. In our analysis, we provide nonasymptotic theoretical contributions to matrix completion, statistical learning, and semiparametric statistics. We verify the coverage of the data cleaning-adjusted confidence intervals in simulations. Finally, we conduct a semi-synthetic exercise calibrated to privacy levels mandated for the 2020 US Census.

Large text-to-image models achieved a remarkable leap in the evolution of AI, enabling high-quality and diverse synthesis of images from a given text prompt. However, these models lack the ability to mimic the appearance of subjects in a given reference set and synthesize novel renditions of them in different contexts. In this work, we present a new approach for "personalization" of text-to-image diffusion models (specializing them to users' needs). Given as input just a few images of a subject, we fine-tune a pretrained text-to-image model (Imagen, although our method is not limited to a specific model) such that it learns to bind a unique identifier with that specific subject. Once the subject is embedded in the output domain of the model, the unique identifier can then be used to synthesize fully-novel photorealistic images of the subject contextualized in different scenes. By leveraging the semantic prior embedded in the model with a new autogenous class-specific prior preservation loss, our technique enables synthesizing the subject in diverse scenes, poses, views, and lighting conditions that do not appear in the reference images. We apply our technique to several previously-unassailable tasks, including subject recontextualization, text-guided view synthesis, appearance modification, and artistic rendering (all while preserving the subject's key features). Project page: https://dreambooth.github.io/

This paper considers the problem of tracking a large-scale number of group targets. Usually, multi-target in most tracking scenarios are assumed to have independent motion and are well-separated. However, for group target tracking (GTT), the targets within groups are closely spaced and move in a coordinated manner, the groups can split or merge, and the numbers of targets in groups may be large, which lead to more challenging data association, filtering and computation problems. Within the belief propagation (BP) framework, we propose a scalable group target belief propagation (GTBP) method by jointly inferring target existence variables, group structure, data association and target states. The method can efficiently calculate the approximations of the marginal posterior distributions of these variables by performing belief propagation on the devised factor graph. As a consequence, GTBP is capable of capturing the changes in group structure, e.g., group splitting and merging. Furthermore, we model the evolution of targets as the co-action of the group or single-target motions specified by the possible group structures and corresponding probabilities. This flexible modeling enables seamless and simultaneous tracking of multiple group targets and ungrouped targets. Particularly, GTBP has excellent scalability and low computational complexity. It not only maintains the same scalability as BP, i.e., scaling linearly in the number of sensor measurements and quadratically in the number of targets, but also only scales linearly in the number of preserved group partitions. Finally, numerical experiments are presented to demonstrate the effectiveness and scalability of the proposed GTBP method.

Low-rank approximation of images via singular value decomposition is well-received in the era of big data. However, singular value decomposition (SVD) is only for order-two data, i.e., matrices. It is necessary to flatten a higher order input into a matrix or break it into a series of order-two slices to tackle higher order data such as multispectral images and videos with the SVD. Higher order singular value decomposition (HOSVD) extends the SVD and can approximate higher order data using sums of a few rank-one components. We consider the problem of generalizing HOSVD over a finite dimensional commutative algebra. This algebra, referred to as a t-algebra, generalizes the field of complex numbers. The elements of the algebra, called t-scalars, are fix-sized arrays of complex numbers. One can generalize matrices and tensors over t-scalars and then extend many canonical matrix and tensor algorithms, including HOSVD, to obtain higher-performance versions. The generalization of HOSVD is called THOSVD. Its performance of approximating multi-way data can be further improved by an alternating algorithm. THOSVD also unifies a wide range of principal component analysis algorithms. To exploit the potential of generalized algorithms using t-scalars for approximating images, we use a pixel neighborhood strategy to convert each pixel to "deeper-order" t-scalar. Experiments on publicly available images show that the generalized algorithm over t-scalars, namely THOSVD, compares favorably with its canonical counterparts.

We here adopt Bayesian nonparametric mixture models to extend multi-armed bandits in general, and Thompson sampling in particular, to scenarios where there is reward model uncertainty. In the stochastic multi-armed bandit, the reward for the played arm is generated from an unknown distribution. Reward uncertainty, i.e., the lack of knowledge about the reward-generating distribution, induces the exploration-exploitation trade-off: a bandit agent needs to simultaneously learn the properties of the reward distribution and sequentially decide which action to take next. In this work, we extend Thompson sampling to scenarios where there is reward model uncertainty by adopting Bayesian nonparametric Gaussian mixture models for flexible reward density estimation. The proposed Bayesian nonparametric mixture model Thompson sampling sequentially learns the reward model that best approximates the true, yet unknown, per-arm reward distribution, achieving successful regret performance. We derive, based on a novel posterior convergence based analysis, an asymptotic regret bound for the proposed method. In addition, we empirically evaluate its performance in diverse and previously elusive bandit environments, e.g., with rewards not in the exponential family, subject to outliers, and with different per-arm reward distributions. We show that the proposed Bayesian nonparametric Thompson sampling outperforms, both in averaged cumulative regret and in regret volatility, state-of-the-art alternatives. The proposed method is valuable in the presence of bandit reward model uncertainty, as it avoids stringent case-by-case model design choices, yet provides important regret savings.

In the matrix completion problem, one wishes to reconstruct a low-rank matrix based on a revealed set of (possibly noisy) entries. Prior work considers completing the entire matrix, which may be highly inaccurate in the common case where the distribution over entries is non-uniform. We formalize the problem of Partial Matrix Completion where the goal is to complete a large subset of the entries, or equivalently to complete the entire matrix and specify an accurate subset of the entries. Interestingly, even though the distribution is unknown and arbitrarily complex, our efficient algorithm is able to guarantee: (a) high accuracy over all completed entries, and (b) high coverage, meaning that it covers at least as much of the matrix as the distribution of observations.

The problem of approximating smooth, multivariate functions from sample points arises in many applications in scientific computing, e.g., in computational Uncertainty Quantification (UQ) for science and engineering. In these applications, the target function may represent a desired quantity of interest of a parameterized Partial Differential Equation (PDE). Due to the large cost of solving such problems, where each sample is computed by solving a PDE, sample efficiency is a key concerning these applications. Recently, there has been increasing focus on the use of Deep Neural Networks (DNN) and Deep Learning (DL) for learning such functions from data. In this work, we propose an adaptive sampling strategy, CAS4DL (Christoffel Adaptive Sampling for Deep Learning) to increase the sample efficiency of DL for multivariate function approximation. Our novel approach is based on interpreting the second to last layer of a DNN as a dictionary of functions defined by the nodes on that layer. With this viewpoint, we then define an adaptive sampling strategy motivated by adaptive sampling schemes recently proposed for linear approximation schemes, wherein samples are drawn randomly with respect to the Christoffel function of the subspace spanned by this dictionary. We present numerical experiments comparing CAS4DL with standard Monte Carlo (MC) sampling. Our results demonstrate that CAS4DL often yields substantial savings in the number of samples required to achieve a given accuracy, particularly in the case of smooth activation functions, and it shows a better stability in comparison to MC. These results therefore are a promising step towards fully adapting DL towards scientific computing applications.

Wireless Sensor Networks (WSNs) is a promising technology with enormous applications in almost every walk of life. One of the crucial applications of WSNs is intrusion detection and surveillance at the border areas and in the defense establishments. The border areas are stretched in hundreds to thousands of miles, hence, it is not possible to patrol the entire border region. As a result, an enemy may enter from any point absence of surveillance and cause the loss of lives or destroy the military establishments. WSNs can be a feasible solution for the problem of intrusion detection and surveillance at the border areas. Detection of an enemy at the border areas and nearby critical areas such as military cantonments is a time-sensitive task as a delay of few seconds may have disastrous consequences. Therefore, it becomes imperative to design systems that are able to identify and detect the enemy as soon as it comes in the range of the deployed system. In this paper, we have proposed a deep learning architecture based on a fully connected feed-forward Artificial Neural Network (ANN) for the accurate prediction of the number of k-barriers for fast intrusion detection and prevention. We have trained and evaluated the feed-forward ANN model using four potential features, namely area of the circular region, sensing range of sensors, the transmission range of sensors, and the number of sensor for Gaussian and uniform sensor distribution. These features are extracted through Monte Carlo simulation. In doing so, we found that the model accurately predicts the number of k-barriers for both Gaussian and uniform sensor distribution with correlation coefficient (R = 0.78) and Root Mean Square Error (RMSE = 41.15) for the former and R = 0.79 and RMSE = 48.36 for the latter. Further, the proposed approach outperforms the other benchmark algorithms in terms of accuracy and computational time complexity.

The eigendecomposition of a matrix is the central procedure in probabilistic models based on matrix factorization, for instance principal component analysis and topic models. Quantifying the uncertainty of such a decomposition based on a finite sample estimate is essential to reasoning under uncertainty when employing such models. This paper tackles the challenge of computing confidence bounds on the individual entries of eigenvectors of a covariance matrix of fixed dimension. Moreover, we derive a method to bound the entries of the inverse covariance matrix, the so-called precision matrix. The assumptions behind our method are minimal and require that the covariance matrix exists, and its empirical estimator converges to the true covariance. We make use of the theory of U-statistics to bound the $L_2$ perturbation of the empirical covariance matrix. From this result, we obtain bounds on the eigenvectors using Weyl's theorem and the eigenvalue-eigenvector identity and we derive confidence intervals on the entries of the precision matrix using matrix inversion perturbation bounds. As an application of these results, we demonstrate a new statistical test, which allows us to test for non-zero values of the precision matrix. We compare this test to the well-known Fisher-z test for partial correlations, and demonstrate the soundness and scalability of the proposed statistical test, as well as its application to real-world data from medical and physics domains.

As the third-generation neural networks, Spiking Neural Networks (SNNs) have great potential on neuromorphic hardware because of their high energy-efficiency. However, Deep Spiking Reinforcement Learning (DSRL), i.e., the Reinforcement Learning (RL) based on SNNs, is still in its preliminary stage due to the binary output and the non-differentiable property of the spiking function. To address these issues, we propose a Deep Spiking Q-Network (DSQN) in this paper. Specifically, we propose a directly-trained deep spiking reinforcement learning architecture based on the Leaky Integrate-and-Fire (LIF) neurons and Deep Q-Network (DQN). Then, we adapt a direct spiking learning algorithm for the Deep Spiking Q-Network. We further demonstrate the advantages of using LIF neurons in DSQN theoretically. Comprehensive experiments have been conducted on 17 top-performing Atari games to compare our method with the state-of-the-art conversion method. The experimental results demonstrate the superiority of our method in terms of performance, stability, robustness and energy-efficiency. To the best of our knowledge, our work is the first one to achieve state-of-the-art performance on multiple Atari games with the directly-trained SNN.

Vehicle-to-Everything (V2X) network has enabled collaborative perception in autonomous driving, which is a promising solution to the fundamental defect of stand-alone intelligence including blind zones and long-range perception. However, the lack of datasets has severely blocked the development of collaborative perception algorithms. In this work, we release DOLPHINS: Dataset for cOllaborative Perception enabled Harmonious and INterconnected Self-driving, as a new simulated large-scale various-scenario multi-view multi-modality autonomous driving dataset, which provides a ground-breaking benchmark platform for interconnected autonomous driving. DOLPHINS outperforms current datasets in six dimensions: temporally-aligned images and point clouds from both vehicles and Road Side Units (RSUs) enabling both Vehicle-to-Vehicle (V2V) and Vehicle-to-Infrastructure (V2I) based collaborative perception; 6 typical scenarios with dynamic weather conditions make the most various interconnected autonomous driving dataset; meticulously selected viewpoints providing full coverage of the key areas and every object; 42376 frames and 292549 objects, as well as the corresponding 3D annotations, geo-positions, and calibrations, compose the largest dataset for collaborative perception; Full-HD images and 64-line LiDARs construct high-resolution data with sufficient details; well-organized APIs and open-source codes ensure the extensibility of DOLPHINS. We also construct a benchmark of 2D detection, 3D detection, and multi-view collaborative perception tasks on DOLPHINS. The experiment results show that the raw-level fusion scheme through V2X communication can help to improve the precision as well as to reduce the necessity of expensive LiDAR equipment on vehicles when RSUs exist, which may accelerate the popularity of interconnected self-driving vehicles. DOLPHINS is now available on https://dolphins-dataset.net/.

Automating arrhythmia detection from ECG requires a robust and trusted system that retains high accuracy under electrical disturbances. Many machine learning approaches have reached human-level performance in classifying arrhythmia from ECGs. However, these architectures are vulnerable to adversarial attacks, which can misclassify ECG signals by decreasing the model's accuracy. Adversarial attacks are small crafted perturbations injected in the original data which manifest the out-of-distribution shifts in signal to misclassify the correct class. Thus, security concerns arise for false hospitalization and insurance fraud abusing these perturbations. To mitigate this problem, we introduce the first novel Conditional Generative Adversarial Network (GAN), robust against adversarial attacked ECG signals and retaining high accuracy. Our architecture integrates a new class-weighted objective function for adversarial perturbation identification and new blocks for discerning and combining out-of-distribution shifts in signals in the learning process for accurately classifying various arrhythmia types. Furthermore, we benchmark our architecture on six different white and black-box attacks and compare them with other recently proposed arrhythmia classification models on two publicly available ECG arrhythmia datasets. The experiment confirms that our model is more robust against such adversarial attacks for classifying arrhythmia with high accuracy.

In many predictive decision-making scenarios, such as credit scoring and academic testing, a decision-maker must construct a model that accounts for agents' propensity to "game" the decision rule by changing their features so as to receive better decisions. Whereas the strategic classification literature has previously assumed that agents' outcomes are not causally affected by their features (and thus that strategic agents' goal is deceiving the decision-maker), we join concurrent work in modeling agents' outcomes as a function of their changeable attributes. As our main contribution, we provide efficient algorithms for learning decision rules that optimize three distinct decision-maker objectives in a realizable linear setting: accurately predicting agents' post-gaming outcomes (prediction risk minimization), incentivizing agents to improve these outcomes (agent outcome maximization), and estimating the coefficients of the true underlying model (parameter estimation). Our algorithms circumvent a hardness result of Miller et al. (2020) by allowing the decision maker to test a sequence of decision rules and observe agents' responses, in effect performing causal interventions through the decision rules.

Hyperparameter optimization in machine learning is often achieved using naive techniques that only lead to an approximate set of hyperparameters. Although techniques such as Bayesian optimization perform an intelligent search on a given domain of hyperparameters, it does not guarantee an optimal solution. A major drawback of most of these approaches is an exponential increase of their search domain with number of hyperparameters, increasing the computational cost and making the approaches slow. The hyperparameter optimization problem is inherently a bilevel optimization task, and some studies have attempted bilevel solution methodologies for solving this problem. However, these studies assume a unique set of model weights that minimize the training loss, which is generally violated by deep learning architectures. This paper discusses a gradient-based bilevel method addressing these drawbacks for solving the hyperparameter optimization problem. The proposed method can handle continuous hyperparameters for which we have chosen the regularization hyperparameter in our experiments. The method guarantees convergence to the set of optimal hyperparameters that this study has theoretically proven. The idea is based on approximating the lower-level optimal value function using Gaussian process regression. As a result, the bilevel problem is reduced to a single level constrained optimization task that is solved using the augmented Lagrangian method. We have performed an extensive computational study on the MNIST and CIFAR-10 datasets on multi-layer perceptron and LeNet architectures that confirms the efficiency of the proposed method. A comparative study against grid search, random search, Bayesian optimization, and HyberBand method on various hyperparameter problems shows that the proposed algorithm converges with lower computation and leads to models that generalize better on the testing set.

Developing innovative informatics approaches aimed to enhance fetal monitoring is a burgeoning field of study in reproductive medicine. Several reviews have been conducted regarding Artificial intelligence (AI) techniques to improve pregnancy outcomes. They are limited by focusing on specific data such as mother's care during pregnancy. This systematic survey aims to explore how artificial intelligence (AI) can assist with fetal growth monitoring via Ultrasound (US) image. We used eight medical and computer science bibliographic databases, including PubMed, Embase, PsycINFO, ScienceDirect, IEEE explore, ACM Library, Google Scholar, and the Web of Science. We retrieved studies published between 2010 to 2021. Data extracted from studies were synthesized using a narrative approach. Out of 1269 retrieved studies, we included 107 distinct studies from queries that were relevant to the topic in the survey. We found that 2D ultrasound images were more popular (n=88) than 3D and 4D ultrasound images (n=19). Classification is the most used method (n=42), followed by segmentation (n=31), classification integrated with segmentation (n=16) and other miscellaneous such as object-detection, regression and reinforcement learning (n=18). The most common areas within the pregnancy domain were the fetus head (n=43), then fetus body (n=31), fetus heart (n=13), fetus abdomen (n=10), and lastly the fetus face (n=10). In the most recent studies, deep learning techniques were primarily used (n=81), followed by machine learning (n=16), artificial neural network (n=7), and reinforcement learning (n=2). AI techniques played a crucial role in predicting fetal diseases and identifying fetus anatomy structures during pregnancy. More research is required to validate this technology from a physician's perspective, such as pilot studies and randomized controlled trials on AI and its applications in a hospital setting.

Computational fluid dynamics (CFD) can be used to simulate vascular haemodynamics and analyse potential treatment options. CFD has shown to be beneficial in improving patient outcomes. However, the implementation of CFD for routine clinical use is yet to be realised. Barriers for CFD include high computational resources, specialist experience needed for designing simulation set-ups, and long processing times. The aim of this study was to explore the use of machine learning (ML) to replicate conventional aortic CFD with automatic and fast regression models. Data used to train/test the model comprised of 3,000 CFD simulations performed on synthetically generated 3D aortic shapes. These subjects were generated from a statistical shape model (SSM) built on real patient-specific aortas (N=67). Inference performed on 200 test shapes resulted in average errors of 6.01% +/-3.12 SD and 3.99% +/-0.93 SD for pressure and velocity, respectively. Our ML-based models performed CFD in ~0.075 seconds (4,000x faster than the solver). This study shows that results from conventional vascular CFD can be reproduced using ML at a much faster rate, in an automatic process, and with high accuracy.

The human brain can be considered to be a graphical structure comprising of tens of billions of biological neurons connected by synapses. It has the remarkable ability to automatically re-route information flow through alternate paths in case some neurons are damaged. Moreover, the brain is capable of retaining information and applying it to similar but completely unseen scenarios. In this paper, we take inspiration from these attributes of the brain, to develop a computational framework to find the optimal low cost path between a source node and a destination node in a generalized graph. We show that our framework is capable of handling unseen graphs at test time. Moreover, it can find alternate optimal paths, when nodes are arbitrarily added or removed during inference, while maintaining a fixed prediction time. Code is available here: https://github.com/hangligit/pathfinding

Multitask Gaussian processes (MTGP) are the Gaussian process (GP) framework's solution for multioutput regression problems in which the $T$ elements of the regressors cannot be considered conditionally independent given the observations. Standard MTGP models assume that there exist both a multitask covariance matrix as a function of an intertask matrix, and a noise covariance matrix. These matrices need to be approximated by a low rank simplification of order $P$ in order to reduce the number of parameters to be learnt from $T^2$ to $TP$. Here we introduce a novel approach that simplifies the multitask learning by reducing it to a set of conditioned univariate GPs without the need for any low rank approximations, therefore completely eliminating the requirement to select an adequate value for hyperparameter $P$. At the same time, by extending this approach with both a hierarchical and an approximate model, the proposed extensions are capable of recovering the multitask covariance and noise matrices after learning only $2T$ parameters, avoiding the validation of any model hyperparameter and reducing the overall complexity of the model as well as the risk of overfitting. Experimental results over synthetic and real problems confirm the advantages of this inference approach in its ability to accurately recover the original noise and signal matrices, as well as the achieved performance improvement in comparison to other state of art MTGP approaches. We have also integrated the model with standard GP toolboxes, showing that it is computationally competitive with state of the art options.

Algorithmic stability is a concept from learning theory that expresses the degree to which changes to the input data (e.g., removal of a single data point) may affect the outputs of a regression algorithm. Knowing an algorithm's stability properties is often useful for many downstream applications -- for example, stability is known to lead to desirable generalization properties and predictive inference guarantees. However, many modern algorithms currently used in practice are too complex for a theoretical analysis of their stability properties, and thus we can only attempt to establish these properties through an empirical exploration of the algorithm's behavior on various data sets. In this work, we lay out a formal statistical framework for this kind of "black box testing" without any assumptions on the algorithm or the data distribution, and establish fundamental bounds on the ability of any black box test to identify algorithmic stability.

Learning rate is one of the most important hyper-parameters that has a significant influence on neural network training. Learning rate schedules are widely used in real practice to adjust the learning rate according to pre-defined schedules for fast convergence and good generalization. However, existing learning rate schedules are all heuristic algorithms and lack theoretical support. Therefore, people usually choose the learning rate schedules through multiple ad-hoc trials, and the obtained learning rate schedules are sub-optimal. To boost the performance of the obtained sub-optimal learning rate schedule, we propose a generic learning rate schedule plugin, called LEArning Rate Perturbation (LEAP), which can be applied to various learning rate schedules to improve the model training by introducing a certain perturbation to the learning rate. We found that, with such a simple yet effective strategy, training processing exponentially favors flat minima rather than sharp minima with guaranteed convergence, which leads to better generalization ability. In addition, we conduct extensive experiments which show that training with LEAP can improve the performance of various deep learning models on diverse datasets using various learning rate schedules (including constant learning rate).

Affect modeling is viewed, traditionally, as the process of mapping measurable affect manifestations from multiple modalities of user input to affect labels. That mapping is usually inferred through end-to-end (manifestation-to-affect) machine learning processes. What if, instead, one trains general, subject-invariant representations that consider affect information and then uses such representations to model affect? In this paper we assume that affect labels form an integral part, and not just the training signal, of an affect representation and we explore how the recent paradigm of contrastive learning can be employed to discover general high-level affect-infused representations for the purpose of modeling affect. We introduce three different supervised contrastive learning approaches for training representations that consider affect information. In this initial study we test the proposed methods for arousal prediction in the RECOLA dataset based on user information from multiple modalities. Results demonstrate the representation capacity of contrastive learning and its efficiency in boosting the accuracy of affect models. Beyond their evidenced higher performance compared to end-to-end arousal classification, the resulting representations are general-purpose and subject-agnostic, as training is guided though general affect information available in any multimodal corpus.

Machine learning has opened up new tools for financial fraud detection. Using a sample of annotated transactions, a machine learning classification algorithm learns to detect frauds. With growing credit card transaction volumes and rising fraud percentages there is growing interest in finding appropriate machine learning classifiers for detection. However, fraud data sets are diverse and exhibit inconsistent characteristics. As a result, a model effective on a given data set is not guaranteed to perform on another. Further, the possibility of temporal drift in data patterns and characteristics over time is high. Additionally, fraud data has massive and varying imbalance. In this work, we evaluate sampling methods as a viable pre-processing mechanism to handle imbalance and propose a data-driven classifier selection strategy for characteristic highly imbalanced fraud detection data sets. The model derived based on our selection strategy surpasses peer models, whilst working in more realistic conditions, establishing the effectiveness of the strategy.

Optimizing parameterized quantum circuits (PQCs) is the leading approach to make use of near-term quantum computers. However, very little is known about the cost function landscape for PQCs, which hinders progress towards quantum-aware optimizers. In this work, we investigate the connection between three different landscape features that have been observed for PQCs: (1) exponentially vanishing gradients (called barren plateaus), (2) exponential cost concentration about the mean, and (3) the exponential narrowness of minina (called narrow gorges). We analytically prove that these three phenomena occur together, i.e., when one occurs then so do the other two. A key implication of this result is that one can numerically diagnose barren plateaus via cost differences rather than via the computationally more expensive gradients. More broadly, our work shows that quantum mechanics rules out certain cost landscapes (which otherwise would be mathematically possible), and hence our results are interesting from a quantum foundations perspective.

A key assumption in the theory of nonlinear adaptive control is that the uncertainty of the system can be expressed in the linear span of a set of known basis functions. While this assumption leads to efficient algorithms, it limits applications to very specific classes of systems. We introduce a novel nonparametric adaptive algorithm that estimates an infinite-dimensional density over parameters online to learn an unknown dynamics in a reproducing kernel Hilbert space. Surprisingly, the resulting control input admits an analytical expression that enables its implementation despite its underlying infinite-dimensional structure. While this adaptive input is rich and expressive - subsuming, for example, traditional linear parameterizations - its computational complexity grows linearly with time, making it comparatively more expensive than its parametric counterparts. Leveraging the theory of random Fourier features, we provide an efficient randomized implementation that recovers the complexity of classical parametric methods while provably retaining the expressivity of the nonparametric input. In particular, our explicit bounds only depend polynomially on the underlying parameters of the system, allowing our proposed algorithms to efficiently scale to high-dimensional systems. As an illustration of the method, we demonstrate the ability of the randomized approximation algorithm to learn a predictive model of a 60-dimensional system consisting of ten point masses interacting through Newtonian gravitation. By reinterpretation as a gradient flow on a specific loss, we conclude with a natural extension of our kernel-based adaptive algorithms to deep neural networks. We show empirically that the extra expressivity afforded by deep representations can lead to improved performance at the expense of closed-loop stability that is rigorously guaranteed and consistently observed for kernel machines.

People have recently begun communicating their thoughts and viewpoints through user-generated multimedia material on social networking websites. This information can be images, text, videos, or audio. Recent years have seen a rise in the frequency of occurrence of this pattern. Twitter is one of the most extensively utilized social media sites, and it is also one of the finest locations to get a sense of how people feel about events that are linked to the Monkeypox sickness. This is because tweets on Twitter are shortened and often updated, both of which contribute to the platform's character. The fundamental objective of this study is to get a deeper comprehension of the diverse range of reactions people have in response to the presence of this condition. This study focuses on finding out what individuals think about monkeypox illnesses, which presents a hybrid technique based on CNN and LSTM. We have considered all three possible polarities of a user's tweet: positive, negative, and neutral. An architecture built on CNN and LSTM is utilized to determine how accurate the prediction models are. The recommended model's accuracy was 94% on the monkeypox tweet dataset. Other performance metrics such as accuracy, recall, and F1-score were utilized to test our models and results in the most time and resource-effective manner. The findings are then compared to more traditional approaches to machine learning. The findings of this research contribute to an increased awareness of the monkeypox infection in the general population.

In this work, we present an approach called Disease Informed Neural Networks (DINNs) that can be employed to effectively predict the spread of infectious diseases. This approach builds on a successful physics informed neural network approaches that have been applied to a variety of applications that can be modeled by linear and non-linear ordinary and partial differential equations. Specifically, we build on the application of PINNs to SIR compartmental models and expand it a scaffolded family of mathematical models describing various infectious diseases. We show how the neural networks are capable of learning how diseases spread, forecasting their progression, and finding their unique parameters (e.g. death rate). To demonstrate the robustness and efficacy of DINNs, we apply the approach to eleven highly infectious diseases that have been modeled in increasing levels of complexity. Our computational experiments suggest that DINNs is a reliable candidate for effectively learn about the dynamics of spread and forecast its progression into the future from available real-world data.

We devise a new type of feedforward neural network. It is equivariant with respect to the unitary group $U(n)$. The input and output can be vectors in $\mathbb{C}^n$ with arbitrary dimension $n$. No convolution layer is required in our implementation. We avoid errors due to truncated higher order terms in Fourier-like transformation. The implementation of each layer can be done efficiently using simple calculations. As a proof of concept, we have given empirical results on the prediction of the dynamics of atomic motion to demonstrate the practicality of our approach.

Post-training quantization (PTQ) attracts increasing attention due to its convenience in deploying quantized neural networks. Rounding, the primary source of quantization error, is optimized only for model weights, while activations still use the rounding-to-nearest operation. In this work, for the first time, we demonstrate that well-chosen rounding schemes for activations can improve the final accuracy. To deal with the challenge of the dynamicity of the activation rounding scheme, we adaptively adjust the rounding border through a simple function to generate rounding schemes at the inference stage. The border function covers the impact of weight errors, activation errors, and propagated errors to eliminate the bias of the element-wise error, which further benefits model accuracy. We also make the border aware of global errors to better fit different arriving activations. Finally, we propose the AQuant framework to learn the border function. Extensive experiments show that AQuant achieves noticeable improvements with negligible overhead compared with state-of-the-art works and pushes the accuracy of ResNet-18 up to 60.3\% under the 2-bit weight and activation post-training quantization.

Software testing activities aim to find the possible defects of a software product and ensure that the product meets its expected requirements. Some software testing approached are lacking automation or are partly automated which increases the testing time and overall software testing costs. Recently, Reinforcement Learning (RL) has been successfully employed in complex testing tasks such as game testing, regression testing, and test case prioritization to automate the process and provide continuous adaptation. Practitioners can employ RL by implementing from scratch an RL algorithm or use an RL framework. Developers have widely used these frameworks to solve problems in various domains including software testing. However, to the best of our knowledge, there is no study that empirically evaluates the effectiveness and performance of pre-implemented algorithms in RL frameworks. In this paper, we empirically investigate the applications of carefully selected RL algorithms on two important software testing tasks: test case prioritization in the context of Continuous Integration (CI) and game testing. For the game testing task, we conduct experiments on a simple game and use RL algorithms to explore the game to detect bugs. Results show that some of the selected RL frameworks such as Tensorforce outperform recent approaches in the literature. To prioritize test cases, we run experiments on a CI environment where RL algorithms from different frameworks are used to rank the test cases. Our results show that the performance difference between pre-implemented algorithms in some cases is considerable, motivating further investigation. Moreover, empirical evaluations on some benchmark problems are recommended for researchers looking to select RL frameworks, to make sure that RL algorithms perform as intended.

Reconstructing force fields (FF) from atomistic simulation data is a challenge since accurate data can be highly expensive. Here, machine learning (ML) models can help to be data economic as they can be successfully constrained using the underlying symmetry and conservation laws of physics. However, so far, every descriptor newly proposed for an ML model has required a cumbersome and mathematically tedious remodeling. We therefore propose to use modern techniques from algorithmic differentiation within the ML modeling process -- effectively enabling the usage of novel descriptors or models fully automatically at an order of magnitude higher computational efficiency. This paradigmatic approach enables not only a versatile usage of novel representations, the efficient computation of larger systems -- all of high value to the FF community -- but also the simple inclusion of further physical knowledge such as higher-order information (e.g.~Hessians, more complex partial differential equations constraints etc.), even beyond the presented FF domain.

In the present study, the effects of flight-Mach number, flight altitude, fuel types, and intake air temperature on thrust specific fuel consumption, thrust, intake air mass flow rate, thermal and propulsive efficiecies, as well as the exergetic efficiency and the exergy destruction rate in F135 PW100 engine are investigated. Based on the results obtained in the first phase, to model the thermodynamic performance of the aforementioned engine cycle, Flight-Mach number and flight altitude are considered to be 2.5 and 30,000 m, respectively; due to the operational advantage of supersonic flying at high altitude flight conditions, and the higher thrust of hydrogen fuel. Accordingly, in the second phase, taking into account the mentioned flight conditions, an intelligent model has been obtained to predict output parameters (i.e., thrust, thrust specific fuel consumption, and overall exergetic efficiency) using the deep learning method. In the attained deep neural model, the pressure ratio of the high-pressure turbine, fan pressure ratio, turbine inlet temperature, intake air temperature, and bypass ratio are considered input parameters. The provided datasets are randomly divided into two sets: the first one contains 6079 samples for model training and the second set contains 1520 samples for testing. In particular, the Adam optimization algorithm, the cost function of the mean square error, and the active function of rectified linear unit are used to train the network. The results show that the error percentage of the deep neural model is equal to 5.02%, 1.43%, and 2.92% to predict thrust, thrust specific fuel consumption, and overall exergetic efficiency, respectively, which indicates the success of the attained model in estimating the output parameters of the present problem.

In distributed learning, a central server trains a model according to updates provided by nodes holding local data samples. In the presence of one or more malicious servers sending incorrect information (a Byzantine adversary), standard algorithms for model training such as stochastic gradient descent (SGD) fail to converge. In this paper, we present a simplified convergence theory for the generic Byzantine Resilient SGD method originally proposed by Blanchard et al. [NeurIPS 2017]. Compared to the existing analysis, we shown convergence to a stationary point in expectation under standard assumptions on the (possibly nonconvex) objective function and flexible assumptions on the stochastic gradients.

We explore different strategies to integrate prior domain knowledge into the design of a deep neural network (DNN). We focus on graph neural networks (GNN), with a use case of estimating the potential energy of chemical systems (molecules and crystals) represented as graphs. We integrate two elements of domain knowledge into the design of the GNN to constrain and regularise its learning, towards higher accuracy and generalisation. First, knowledge on the existence of different types of relations (chemical bonds) between atoms is used to modulate the interaction of nodes in the GNN. Second, knowledge of the relevance of some physical quantities is used to constrain the learnt features towards a higher physical relevance using a simple multi-task paradigm. We demonstrate the general applicability of our knowledge integrations by applying them to two architectures that rely on different mechanisms to propagate information between nodes and to update node states.

Proactive approaches to security, such as adversary emulation, leverage information about threat actors and their techniques (Cyber Threat Intelligence, CTI). However, most CTI still comes in unstructured forms (i.e., natural language), such as incident reports and leaked documents. To support proactive security efforts, we present an experimental study on the automatic classification of unstructured CTI into attack techniques using machine learning (ML). We contribute with two new datasets for CTI analysis, and we evaluate several ML models, including both traditional and deep learning-based ones. We present several lessons learned about how ML can perform at this task, which classifiers perform best and under which conditions, which are the main causes of classification errors, and the challenges ahead for CTI analysis.

We implement a trust region method on the GPU for nonlinear least squares curve fitting problems using a new deep learning Python library called JAX. Our open source package, JAXFit, works for both unconstrained and constrained curve fitting problems and allows the fit functions to be defined in Python alone -- without any specialized knowledge of either the GPU or CUDA programming. Since JAXFit runs on the GPU, it is much faster than CPU based libraries and even other GPU based libraries, despite being very easy to use. Additionally, due to JAX's deep learning foundations, the Jacobian in JAXFit's trust region algorithm is calculated with automatic differentiation, rather than than using derivative approximations or requiring the user to define the fit function's partial derivatives.

Inductive link prediction for knowledge graph aims at predicting missing links between unseen entities, those not shown in training stage. Most previous works learn entity-specific embeddings of entities, which cannot handle unseen entities. Recent several methods utilize enclosing subgraph to obtain inductive ability. However, all these works only consider the enclosing part of subgraph without complete neighboring relations, which leads to the issue that partial neighboring relations are neglected, and sparse subgraphs are hard to be handled. To address that, we propose Subgraph Neighboring Relations Infomax, SNRI, which sufficiently exploits complete neighboring relations from two aspects: neighboring relational feature for node feature and neighboring relational path for sparse subgraph. To further model neighboring relations in a global way, we innovatively apply mutual information (MI) maximization for knowledge graph. Experiments show that SNRI outperforms existing state-of-art methods by a large margin on inductive link prediction task, and verify the effectiveness of exploring complete neighboring relations in a global way to characterize node features and reason on sparse subgraphs.

Diffusion models have shown incredible capabilities as generative models; indeed, they power the current state-of-the-art models on text-conditioned image generation such as Imagen and DALL-E 2. In this work we review, demystify, and unify the understanding of diffusion models across both variational and score-based perspectives. We first derive Variational Diffusion Models (VDM) as a special case of a Markovian Hierarchical Variational Autoencoder, where three key assumptions enable tractable computation and scalable optimization of the ELBO. We then prove that optimizing a VDM boils down to learning a neural network to predict one of three potential objectives: the original source input from any arbitrary noisification of it, the original source noise from any arbitrarily noisified input, or the score function of a noisified input at any arbitrary noise level. We then dive deeper into what it means to learn the score function, and connect the variational perspective of a diffusion model explicitly with the Score-based Generative Modeling perspective through Tweedie's Formula. Lastly, we cover how to learn a conditional distribution using diffusion models via guidance.

The notion of local intrinsic dimensionality (LID) is an important advancement in data dimensionality analysis, with applications in data mining, machine learning and similarity search problems. Existing distance-based LID estimators were designed for tabular datasets encompassing data points represented as vectors in a Euclidean space. After discussing their limitations for graph-structured data considering graph embeddings and graph distances, we propose NC-LID, a novel LID-related measure for quantifying the discriminatory power of the shortest-path distance with respect to natural communities of nodes as their intrinsic localities. It is shown how this measure can be used to design LID-aware graph embedding algorithms by formulating two LID-elastic variants of node2vec with personalized hyperparameters that are adjusted according to NC-LID values. Our empirical analysis of NC-LID on a large number of real-world graphs shows that this measure is able to point to nodes with high link reconstruction errors in node2vec embeddings better than node centrality metrics. The experimental evaluation also shows that the proposed LID-elastic node2vec extensions improve node2vec by better preserving graph structure in generated embeddings.

As one of the most fundamental tasks in graph theory, subgraph matching is a crucial task in many fields, ranging from information retrieval, computer vision, biology, chemistry and natural language processing. Yet subgraph matching problem remains to be an NP-complete problem. This study proposes an end-to-end learning-based approximate method for subgraph matching task, called subgraph matching network (Sub-GMN). The proposed Sub-GMN firstly uses graph representation learning to map nodes to node-level embedding. It then combines metric learning and attention mechanisms to model the relationship between matched nodes in the data graph and query graph. To test the performance of the proposed method, we applied our method on two databases. We used two existing methods, GNN and FGNN as baseline for comparison. Our experiment shows that, on dataset 1, on average the accuracy of Sub-GMN are 12.21\% and 3.2\% higher than that of GNN and FGNN respectively. On average running time Sub-GMN runs 20-40 times faster than FGNN. In addition, the average F1-score of Sub-GMN on all experiments with dataset 2 reached 0.95, which demonstrates that Sub-GMN outputs more correct node-to-node matches. Comparing with the previous GNNs-based methods for subgraph matching task, our proposed Sub-GMN allows varying query and data graphes in the test/application stage, while most previous GNNs-based methods can only find a matched subgraph in the data graph during the test/application for the same query graph used in the training stage. Another advantage of our proposed Sub-GMN is that it can output a list of node-to-node matches, while most existing end-to-end GNNs based methods cannot provide the matched node pairs.

The question of how to produce a smooth interpolating curve from a stream of uncertainty regions, which become available sequentially, is addressed in this paper. To this end, we formalize the concept of real-time interpolator (RTI): a trainable recurrent unit that reconstructs smooth signals that are consistent with the received uncertainty regions in an online manner. More specifically, an RTI works under the requirement of reconstructing a section of the signal immediately after an uncertainty region is revealed (zero delay), without changing the reconstructed signal in the previous sections. Particularly, this work formulates the design of spline-based RTIs and proposes a data-driven training procedure, which minimizes the average curvature of the interpolated signals over a set of example sequences. These sequences are representative of the nature of the data sequence to be interpolated, allowing to tailor the RTI to any specific signal source. Our overall design allows for different possible schemes due to its modular structure, but in this work, we present two approaches, namely, the parametrized RTI and the recurrent neural network (RNN)-based RTI, including their architectures and properties. Experimental results show that the two proposed RTIs can be trained to achieve improved performance (in terms of the curvature loss metric) with respect to a myopic-type RTI that only exploits the local information at each time step while maintaining smooth, zero-delay, and consistency requirements.

We propose a new diffusion-asymptotic analysis for sequentially randomized experiments, including those that arise in solving multi-armed bandit problems. In an experiment with $n$ time steps, we let the mean reward gaps between actions scale to the order $1/\sqrt{n}$ so as to preserve the difficulty of the learning task as $n$ grows. In this regime, we show that the behavior of a class of sequentially randomized Markov experiments converges to a diffusion limit, given as the solution to a stochastic differential equation. The diffusion limit thus enables us to derive refined, instance-specific characterization of the stochastic dynamics of sequential experiments. We use the diffusion limit to obtain several new insights on the regret and belief evolution of sequential experiments, including Thompson sampling. On the one hand, we show that all sequential experiments whose randomization probabilities have a Lipschitz-continuous dependence on the observed data suffer from sub-optimal regret performance when the reward gaps are relatively large. On the other hand, we find that a version of Thompson sampling with an asymptotically uninformative prior variance achieves near-optimal instance-specific regret scaling, including with large reward gaps. However, although the use of uninformative priors for Thompson sampling yields good regret properties, we show that the induced posterior beliefs are highly unstable over time.

Transformers have recently gained significant attention in the computer vision community. However, the lack of scalability of self-attention mechanisms with respect to image size has limited their wide adoption in state-of-the-art vision backbones. In this paper we introduce an efficient and scalable attention model we call multi-axis attention, which consists of two aspects: blocked local and dilated global attention. These design choices allow global-local spatial interactions on arbitrary input resolutions with only linear complexity. We also present a new architectural element by effectively blending our proposed attention model with convolutions, and accordingly propose a simple hierarchical vision backbone, dubbed MaxViT, by simply repeating the basic building block over multiple stages. Notably, MaxViT is able to ''see'' globally throughout the entire network, even in earlier, high-resolution stages. We demonstrate the effectiveness of our model on a broad spectrum of vision tasks. On image classification, MaxViT achieves state-of-the-art performance under various settings: without extra data, MaxViT attains 86.5% ImageNet-1K top-1 accuracy; with ImageNet-21K pre-training, our model achieves 88.7% top-1 accuracy. For downstream tasks, MaxViT as a backbone delivers favorable performance on object detection as well as visual aesthetic assessment. We also show that our proposed model expresses strong generative modeling capability on ImageNet, demonstrating the superior potential of MaxViT blocks as a universal vision module. The source code and trained models will be available at https://github.com/google-research/maxvit.

With growing credit card transaction volumes, the fraud percentages are also rising, including overhead costs for institutions to combat and compensate victims. The use of machine learning into the financial sector permits more effective protection against fraud and other economic crime. Suitably trained machine learning classifiers help proactive fraud detection, improving stakeholder trust and robustness against illicit transactions. However, the design of machine learning based fraud detection algorithms has been challenging and slow due the massively unbalanced nature of fraud data and the challenges of identifying the frauds accurately and completely to create a gold standard ground truth. Furthermore, there are no benchmarks or standard classifier evaluation metrics to measure and identify better performing classifiers, thus keeping researchers in the dark. In this work, we develop a theoretical foundation to model human annotation errors and extreme imbalance typical in real world fraud detection data sets. By conducting empirical experiments on a hypothetical classifier, with a synthetic data distribution approximated to a popular real world credit card fraud data set, we simulate human annotation errors and extreme imbalance to observe the behavior of popular machine learning classifier evaluation matrices. We demonstrate that a combined F1 score and g-mean, in that specific order, is the best evaluation metric for typical imbalanced fraud detection model classification.

The currently dominating artificial intelligence and machine learning technology, neural networks, builds on inductive statistical learning. Neural networks of today are information processing systems void of understanding and reasoning capabilities, consequently, they cannot explain promoted decisions in a humanly valid form. In this work, we revisit and use fundamental philosophy of science theories as an analytical lens with the goal of revealing, what can be expected, and more importantly, not expected, from methods that aim to explain decisions promoted by a neural network. By conducting a case study we investigate a selection of explainability method's performance over two mundane domains, animals and headgear. Through our study, we lay bare that the usefulness of these methods relies on human domain knowledge and our ability to understand, generalise and reason. The explainability methods can be useful when the goal is to gain further insights into a trained neural network's strengths and weaknesses. If our aim instead is to use these explainability methods to promote actionable decisions or build trust in ML-models they need to be less ambiguous than they are today. In this work, we conclude from our study, that benchmarking explainability methods, is a central quest towards trustworthy artificial intelligence and machine learning.

Neurons can code for multiple variables simultaneously and neuroscientists are often interested in classifying neurons based on their receptive field properties. Statistical models provide powerful tools for determining the factors influencing neural spiking activity and classifying individual neurons. However, as neural recording technologies have advanced to produce simultaneous spiking data from massive populations, classical statistical methods often lack the computational efficiency required to handle such data. Machine learning (ML) approaches are known for enabling efficient large scale data analyses; however, they typically require massive training sets with balanced data, along with accurate labels to fit well. Additionally, model assessment and interpretation are often more challenging for ML than for classical statistical methods. To address these challenges, we develop an integrated framework, combining statistical modeling and machine learning approaches to identify the coding properties of neurons from large populations. In order to demonstrate this framework, we apply these methods to data from a population of neurons recorded from rat hippocampus to characterize the distribution of spatial receptive fields in this region.

Graph Neural Network (GNNs) based methods have recently become a popular tool to deal with graph data because of their ability to incorporate structural information. The only hurdle in the performance of GNNs is the lack of labeled data. Data Augmentation techniques for images and text data can not be used for graph data because of the complex and non-euclidean structure of graph data. This gap has forced researchers to shift their focus towards the development of data augmentation techniques for graph data. Most of the proposed Graph Data Augmentation (GDA) techniques are task-specific. In this paper, we survey the existing GDA techniques based on different graph tasks. This survey not only provides a reference to the research community of GDA but also provides the necessary information to the researchers of other domains.

We propose a hybrid machine learning architecture that simultaneously employs multiple deep learning models analyzing contextual and behavioral characteristics of Windows portable executable, producing a final prediction based on a decision from the meta-model. The detection heuristic in contemporary machine learning Windows malware classifiers is typically based on the static properties of the sample since dynamic analysis through virtualization is challenging for vast quantities of samples. To surpass this limitation, we employ a Windows kernel emulation that allows the acquisition of behavioral patterns across large corpora with minimal temporal and computational costs. We partner with a security vendor for a collection of more than 100k int-the-wild samples that resemble the contemporary threat landscape, containing raw PE files and filepaths of applications at the moment of execution. The acquired dataset is at least ten folds larger than reported in related works on behavioral malware analysis. Files in the training dataset are labeled by a professional threat intelligence team, utilizing manual and automated reverse engineering tools. We estimate the hybrid classifier's operational utility by collecting an out-of-sample test set three months later from the acquisition of the training set. We report an improved detection rate, above the capabilities of the current state-of-the-art model, especially under low false-positive requirements. Additionally, we uncover a meta-model's ability to identify malicious activity in validation and test sets even if none of the individual models express enough confidence to mark the sample as malevolent. We conclude that the meta-model can learn patterns typical to malicious samples from representation combinations produced by different analysis techniques. We publicly release pre-trained models and anonymized dataset of emulation reports.

I describe a trick for training flow models using a prescribed rule as a surrogate for maximum likelihood. The utility of this trick is limited for non-conditional models, but an extension of the approach, applied to maximum likelihood of the joint probability distribution of data and conditioning information, can be used to train sophisticated \textit{conditional} flow models. Unlike previous approaches, this method is quite simple: it does not require explicit knowledge of the distribution of conditions, auxiliary networks or other specific architecture, or additional loss terms beyond maximum likelihood, and it preserves the correspondence between latent and data spaces. The resulting models have all the properties of non-conditional flow models, are robust to unexpected inputs, and can predict the distribution of solutions conditioned on a given input. They come with guarantees of prediction representativeness and are a natural and powerful way to solve highly uncertain problems. I demonstrate these properties on easily visualized toy problems, then use the method to successfully generate class-conditional images and to reconstruct highly degraded images via super-resolution.

We leverage representation learning and the inductive bias in neural-net-based Standard Model jet classification tasks, to detect non-QCD signal jets. In establishing the framework for classification-based anomaly detection in jet physics, we demonstrate that, with a \emph{well-calibrated} and \emph{powerful enough feature extractor}, a well-trained \emph{mass-decorrelated} supervised Standard Model neural jet classifier can serve as a strong generic anti-QCD jet tagger for effectively reducing the QCD background. Imposing \emph{data-augmented} mass-invariance (and thus decoupling the dominant factor) not only facilitates background estimation, but also induces more substructure-aware representation learning. We are able to reach excellent tagging efficiencies for all the test signals considered. In the best case, we reach a background rejection rate of 51 and a significance improvement factor of 3.6 at 50 \% signal acceptance, with jet mass decorrelated. This study indicates that supervised Standard Model jet classifiers have great potential in general new physics searches.

In this paper, we consider the task of clustering a set of individual time series while modeling each cluster, that is, model-based time series clustering. The task requires a parametric model with sufficient flexibility to describe the dynamics in various time series. To address this problem, we propose a novel model-based time series clustering method with mixtures of linear Gaussian state space models, which have high flexibility. The proposed method uses a new expectation-maximization algorithm for the mixture model to estimate the model parameters, and determines the number of clusters using the Bayesian information criterion. Experiments on a simulated dataset demonstrate the effectiveness of the method in clustering, parameter estimation, and model selection. The method is applied to a real dataset for which previously proposed time series clustering methods exhibited low accuracy. Results showed that our method produces more accurate clustering results than those obtained using the previous methods.

Today, artificial intelligence systems driven by machine learning algorithms can be in a position to take important, and sometimes legally binding, decisions about our everyday lives. In many cases, however, these systems and their actions are neither regulated nor certified. To help counter the potential harm that such algorithms can cause we developed an open source toolbox that can analyse selected fairness, accountability and transparency aspects of the machine learning process: data (and their features), models and predictions, allowing to automatically and objectively report them to relevant stakeholders. In this paper we describe the design, scope, usage and impact of this Python package, which is published under the 3-Clause BSD open source licence.

Measuring similarities between different tasks is critical in a broad spectrum of machine learning problems, including transfer, multi-task, continual, and meta-learning. Most current approaches to measuring task similarities are architecture-dependent: 1) relying on pre-trained models, or 2) training networks on tasks and using forward transfer as a proxy for task similarity. In this paper, we leverage the optimal transport theory and define a novel task embedding for supervised classification that is model-agnostic, training-free, and capable of handling (partially) disjoint label sets. In short, given a dataset with ground-truth labels, we perform a label embedding through multi-dimensional scaling and concatenate dataset samples with their corresponding label embeddings. Then, we define the distance between two datasets as the 2-Wasserstein distance between their updated samples. Lastly, we leverage the 2-Wasserstein embedding framework to embed tasks into a vector space in which the Euclidean distance between the embedded points approximates the proposed 2-Wasserstein distance between tasks. We show that the proposed embedding leads to a significantly faster comparison of tasks compared to related approaches like the Optimal Transport Dataset Distance (OTDD). Furthermore, we demonstrate the effectiveness of our proposed embedding through various numerical experiments and show statistically significant correlations between our proposed distance and the forward and backward transfer between tasks.

Text representations learned by machine learning models often encode undesirable demographic information of the user. Predictive models based on these representations can rely on such information, resulting in biased decisions. We present a novel debiasing technique, Fairness-aware Rate Maximization (FaRM), that removes protected information by making representations of instances belonging to the same protected attribute class uncorrelated, using the rate-distortion function. FaRM is able to debias representations with or without a target task at hand. FaRM can also be adapted to remove information about multiple protected attributes simultaneously. Empirical evaluations show that FaRM achieves state-of-the-art performance on several datasets, and learned representations leak significantly less protected attribute information against an attack by a non-linear probing network.

Federated learning (FL) has emerged as a promising privacy-preserving distributed machine learning framework recently. It aims at collaboratively learning a shared global model by performing distributed training locally on edge devices and aggregating local models into a global one without centralized raw data sharing in the cloud server. However, due to the large local data heterogeneities (Non-I.I.D. data) across edge devices, the FL may easily obtain a global model that can produce more shifted gradients on local datasets, thereby degrading the model performance or even suffering from the non-convergence during training. In this paper, we propose a novel FL training framework, dubbed Fed-FSNet, using a properly designed Fuzzy Synthesizing Network (FSNet) to mitigate the Non-I.I.D. FL at-the-source. Concretely, we maintain an edge-agnostic hidden model in the cloud server to estimate a less-accurate while direction-aware inversion of the global model. The hidden model can then fuzzily synthesize several mimic I.I.D. data samples (sample features) conditioned on only the global model, which can be shared by edge devices to facilitate the FL training towards faster and better convergence. Moreover, since the synthesizing process involves neither access to the parameters/updates of local models nor analyzing individual local model outputs, our framework can still ensure the privacy of FL. Experimental results on several FL benchmarks demonstrate that our method can significantly mitigate the Non-I.I.D. issue and obtain better performance against other representative methods.

Recent advances in the field of machine learning open a new era in high performance computing. Applications of machine learning algorithms for the development of accurate and cost-efficient surrogates of complex problems have already attracted major attention from scientists. Despite their powerful approximation capabilities, however, surrogates cannot produce the `exact' solution to the problem. To address this issue, this paper exploits up-to-date ML tools and delivers customized iterative solvers of linear equation systems, capable of solving large-scale parametrized problems at any desired level of accuracy. Specifically, the proposed approach consists of the following two steps. At first, a reduced set of model evaluations is performed and the corresponding solutions are used to establish an approximate mapping from the problem's parametric space to its solution space using deep feedforward neural networks and convolutional autoencoders. This mapping serves a means to obtain very accurate initial predictions of the system's response to new query points at negligible computational cost. Subsequently, an iterative solver inspired by the Algebraic Multigrid method in combination with Proper Orthogonal Decomposition, termed POD-2G, is developed that successively refines the initial predictions towards the exact system solutions. The application of POD-2G as a standalone solver or as preconditioner in the context of preconditioned conjugate gradient methods is demonstrated on several numerical examples of large scale systems, with the results indicating its superiority over conventional iterative solution schemes.

Generalized self-concordance is a key property present in the objective function of many important learning problems. We establish the convergence rate of a simple Frank-Wolfe variant that uses the open-loop step size strategy $\gamma_t = 2/(t+2)$, obtaining a $\mathcal{O}(1/t)$ convergence rate for this class of functions in terms of primal gap and Frank-Wolfe gap, where $t$ is the iteration count. This avoids the use of second-order information or the need to estimate local smoothness parameters of previous work. We also show improved convergence rates for various common cases, e.g., when the feasible region under consideration is uniformly convex or polyhedral.

As one of the most intuitive interfaces known to humans, natural language has the potential to mediate many tasks that involve human-computer interaction, especially in application-focused fields like Music Information Retrieval. In this work, we explore cross-modal learning in an attempt to bridge audio and language in the music domain. To this end, we propose MusCALL, a framework for Music Contrastive Audio-Language Learning. Our approach consists of a dual-encoder architecture that learns the alignment between pairs of music audio and descriptive sentences, producing multimodal embeddings that can be used for text-to-audio and audio-to-text retrieval out-of-the-box. Thanks to this property, MusCALL can be transferred to virtually any task that can be cast as text-based retrieval. Our experiments show that our method performs significantly better than the baselines at retrieving audio that matches a textual description and, conversely, text that matches an audio query. We also demonstrate that the multimodal alignment capability of our model can be successfully extended to the zero-shot transfer scenario for genre classification and auto-tagging on two public datasets.

While planning-based sequence modelling methods have shown great potential in continuous control, scaling them to high-dimensional state-action sequences remains an open challenge due to the high computational complexity and innate difficulty of planning in high-dimensional spaces. We propose the Trajectory Autoencoding Planner (TAP), a planning-based sequence modelling RL method that scales to high state-action dimensionalities. Using a state-conditional Vector-Quantized Variational Autoencoder (VQ-VAE), TAP models the conditional distribution of the trajectories given the current state. When deployed as an RL agent, TAP avoids planning step-by-step in a high-dimensional continuous action space but instead looks for the optimal latent code sequences by beam search. Unlike $O(D^3)$ complexity of Trajectory Transformer, TAP enjoys constant $O(C)$ planning computational complexity regarding state-action dimensionality $D$. Our empirical evaluation also shows the increasingly strong performance of TAP with the growing dimensionality. For Adroit robotic hand manipulation tasks with high state and action dimensionality, TAP surpasses existing model-based methods, including TT, with a large margin and also beats strong model-free actor-critic baselines.

Community detection is a fundamental problem in network science. In this paper, we consider community detection in hypergraphs drawn from the $hypergraph$ $stochastic$ $block$ $model$ (HSBM), with a focus on exact community recovery. We study the performance of polynomial-time algorithms for community detection in a case where the full hypergraph is unknown. Instead, we are provided a $similarity$ $matrix$ $W$, where $W_{ij}$ reports the number of hyperedges containing both $i$ and $j$. Under this information model, Kim, Bandeira, and Goemans [KBG18] determined the information-theoretic threshold for exact recovery, and proposed a semidefinite programming relaxation which they conjectured to be optimal. In this paper, we confirm this conjecture. We also show that a simple, highly efficient spectral algorithm is optimal, establishing the spectral algorithm as the method of choice. Our analysis of the spectral algorithm crucially relies on strong $entrywise$ bounds on the eigenvectors of $W$. Our bounds are inspired by the work of Abbe, Fan, Wang, and Zhong [AFWZ20], who developed entrywise bounds for eigenvectors of symmetric matrices with independent entries. Despite the complex dependency structure in similarity matrices, we prove similar entrywise guarantees.

Physics-informed neural networks (PINNs) have recently received much attention due to their capabilities in solving both forward and inverse problems. For training a deep neural network associated with a PINN, one typically constructs a total loss function using a weighted sum of different loss terms and then tries to minimize that. This approach often becomes problematic for solving stiff equations since it cannot consider adaptive increments. Many studies reported the poor performance of the PINN and its challenges in simulating stiff chemical active issues with administering conditions of stiff ordinary differential conditions (ODEs). Studies show that stiffness is the primary cause of the failure of the PINN in simulating stiff kinetic systems. Here, we address this issue by proposing a reduced weak-form of the loss function, which led to a new PINN architecture, further named as Reduced-PINN, that utilizes a reduced-order integration method to enable the PINN to solve stiff chemical kinetics. The proposed Reduced-PINN can be applied to various reaction-diffusion systems involving stiff dynamics. To this end, we transform initial value problems (IVPs) to their equivalent integral forms and solve the resulting integral equations using physics-informed neural networks. In our derived integral-based optimization process, there is only one term without explicitly incorporating loss terms associated with ordinary differential equation (ODE) and initial conditions (ICs). To illustrate the capabilities of Reduced-PINN, we used it to simulate multiple stiff/mild second-order ODEs. We show that Reduced-PINN captures the solution accurately for a stiff scalar ODE. We also validated the Reduced-PINN against a stiff system of linear ODEs.

Recent advances in neural network language models have shown that it is possible to derive expressive meaning representations by leveraging linguistic associations in large-scale natural language data. These potentially Gestalt representations have enabled state-of-the-art performance for many practical applications. It would appear that we are on a pathway to empirically deriving a robust and expressive computable semantics. A key question that arises is how far can language data alone enable computers to understand the necessary truth about the physical world? Attention to this question is warranted because our future interactions with intelligent machines depends on how well our techniques correctly represent and process the concepts (objects, properties, and processes) that humans commonly observe to be true. After reviewing existing protocols, the objective of this work is to explore this question using a novel and tightly controlled reasoning test and to highlight what models might learn directly from pure linguistic data.

Semi-supervised learning (SSL) promises gains in accuracy compared to training classifiers on small labeled datasets by also training on many unlabeled images. In realistic applications like medical imaging, unlabeled sets will be collected for expediency and thus uncurated: possibly different from the labeled set in represented classes or class frequencies. Unfortunately, modern deep SSL often makes accuracy worse when given uncurated unlabeled sets. Recent remedies suggest filtering approaches that detect out-of-distribution unlabeled examples and then discard or downweight them. Instead, we view all unlabeled examples as potentially helpful. We introduce a procedure called Fix-A-Step that can improve heldout accuracy of common deep SSL methods despite lack of curation. The key innovations are augmentations of the labeled set inspired by all unlabeled data and a modification of gradient descent updates to prevent following the multi-task SSL loss from hurting labeled-set accuracy. Though our method is simpler than alternatives, we show consistent accuracy gains on CIFAR-10 and CIFAR-100 benchmarks across all tested levels of artificial contamination for the unlabeled sets. We further suggest a real medical benchmark for SSL: recognizing the view type of ultrasound images of the heart. Our method can learn from 353,500 truly uncurated unlabeled images to deliver gains that generalize across hospitals.  ( 2 min )

Given an unsupervised outlier detection (OD) algorithm, how can we optimize its hyperparameter(s) (HP) on a new dataset, without any labels? In this work, we address this challenging hyperparameter optimization for unsupervised OD problem, and propose the first systematic approach called HPOD that is based on meta-learning. HPOD capitalizes on the prior performance of a large collection of HPs on existing OD benchmark datasets, and transfers this information to enable HP evaluation on a new dataset without labels. Moreover, HPOD adapts (originally supervised) sequential model-based optimization to identify promising HPs efficiently. Extensive experiments show that HPOD works with both deep (e.g., Robust AutoEncoder) and shallow (e.g., Local Outlier Factor (LOF) and Isolation Forest (iForest)) OD algorithms on both discrete and continuous HP spaces, and outperforms a wide range of baselines with on average 58% and 66% performance improvement over the default HPs of LOF and iForest.  ( 2 min )

Cost-sensitive classification is critical in applications where misclassification errors widely vary in cost. However, over-parameterization poses fundamental challenges to the cost-sensitive modeling of deep neural networks (DNNs). The ability of a DNN to fully interpolate a training dataset can render a DNN, evaluated purely on the training set, ineffective in distinguishing a cost-sensitive solution from its overall accuracy maximization counterpart. This necessitates rethinking cost-sensitive classification in DNNs. To address this challenge, this paper proposes a cost-sensitive adversarial data augmentation (CSADA) framework to make over-parameterized models cost-sensitive. The overarching idea is to generate targeted adversarial examples that push the decision boundary in cost-aware directions. These targeted adversarial samples are generated by maximizing the probability of critical misclassifications and used to train a model with more conservative decisions on costly pairs. Experiments on well-known datasets and a pharmacy medication image (PMI) dataset made publicly available show that our method can effectively minimize the overall cost and reduce critical errors, while achieving comparable performance in terms of overall accuracy.  ( 2 min )

In this work, we consider a federated learning model in a wireless system with multiple base stations and inter-cell interference. We apply a differential private scheme to transmit information from users to their corresponding base station during the learning phase. We show the convergence behavior of the learning process by deriving an upper bound on its optimality gap. Furthermore, we define an optimization problem to reduce this upper bound and the total privacy leakage. To find the locally optimal solutions of this problem, we first propose an algorithm that schedules the resource blocks and users. We then extend this scheme to reduce the total privacy leakage by optimizing the differential privacy artificial noise. We apply the solutions of these two procedures as parameters of a federated learning system. In this setting, we assume that each user is equipped with a classifier. Moreover, the communication cells are assumed to have mostly fewer resource blocks than numbers of users. The simulation results show that our proposed scheduler improves the average accuracy of the predictions compared with a random scheduler. Furthermore, its extended version with noise optimizer significantly reduces the amount of privacy leakage.  ( 2 min )

Connectivity and controllability of a complex network are two important issues that guarantee a networked system to function. Robustness of connectivity and controllability guarantees the system to function properly and stably under various malicious attacks. Evaluating network robustness using attack simulations is time consuming, while the convolutional neural network (CNN)-based prediction approach provides a cost-efficient method to approximate the network robustness. In this paper, we investigate the performance of CNN-based approaches for connectivity and controllability robustness prediction, when partial network information is missing, namely the adjacency matrix is incomplete. Extensive experimental studies are carried out. A threshold is explored that if a total amount of more than 7.29\% information is lost, the performance of CNN-based prediction will be significantly degenerated for all cases in the experiments. Two scenarios of missing edge representations are compared, 1) a missing edge is marked `no edge' in the input for prediction, and 2) a missing edge is denoted using a special marker of `unknown'. Experimental results reveal that the first representation is misleading to the CNN-based predictors.  ( 2 min )

Recent research has shown that seemingly fair machine learning models, when used to inform decisions that have an impact on peoples' lives or well-being (e.g., applications involving education, employment, and lending), can inadvertently increase social inequality in the long term. This is because prior fairness-aware algorithms only consider static fairness constraints, such as equal opportunity or demographic parity. However, enforcing constraints of this type may result in models that have negative long-term impact on disadvantaged individuals and communities. We introduce ELF (Enforcing Long-term Fairness), the first classification algorithm that provides high-confidence fairness guarantees in terms of long-term, or delayed, impact. We prove that the probability that ELF returns an unfair solution is less than a user-specified tolerance and that (under mild assumptions), given sufficient training data, ELF is able to find and return a fair solution if one exists. We show experimentally that our algorithm can successfully mitigate long-term unfairness.  ( 2 min )

We present an expository overview of technical and cultural challenges to the development and adoption of automation at various stages in the data science prediction lifecycle, restricting focus to supervised learning with structured datasets. In addition, we review popular open source Python tools implementing common solution patterns for the automation challenges and highlight gaps where we feel progress still demands to be made.  ( 2 min )

Deep convolutional neural networks accurately classify a diverse range of natural images, but may be easily deceived when designed, imperceptible perturbations are embedded in the images. In this paper, we design a multi-pronged training, input transformation, and image ensemble system that is attack agnostic and not easily estimated. Our system incorporates two novel features. The first is a transformation layer that computes feature level polynomial kernels from class-level training data samples and iteratively updates input image copies at inference time based on their feature kernel differences to create an ensemble of transformed inputs. The second is a classification system that incorporates the prediction of the undefended network with a hard vote on the ensemble of filtered images. Our evaluations on the CIFAR10 dataset show our system improves the robustness of an undefended network against a variety of bounded and unbounded white-box attacks under different distance metrics, while sacrificing little accuracy on clean images. Against adaptive full-knowledge attackers creating end-to-end attacks, our system successfully augments the existing robustness of adversarially trained networks, for which our methods are most effectively applied.  ( 2 min )

Entropy regularization is known to improve exploration in sequential decision-making problems. We show that this same mechanism can also lead to nearly unbiased and lower-variance estimates of the mean reward in the optimize-and-estimate structured bandit setting. Mean reward estimation (i.e., population estimation) tasks have recently been shown to be essential for public policy settings where legal constraints often require precise estimates of population metrics. We show that leveraging entropy and KL divergence can yield a better trade-off between reward and estimator variance than existing baselines, all while remaining nearly unbiased. These properties of entropy regularization illustrate an exciting potential for bridging the optimal exploration and estimation literatures.  ( 2 min )

Uncertainty quantification (UQ) in machine learning is currently drawing increasing research interest, driven by the rapid deployment of deep neural networks across different fields, such as computer vision, natural language processing, and the need for reliable tools in risk-sensitive applications. Recently, various machine learning models have also been developed to tackle problems in the field of scientific computing with applications to computational science and engineering (CSE). Physics-informed neural networks and deep operator networks are two such models for solving partial differential equations and learning operator mappings, respectively. In this regard, a comprehensive study of UQ methods tailored specifically for scientific machine learning (SciML) models has been provided in [45]. Nevertheless, and despite their theoretical merit, implementations of these methods are not straightforward, especially in large-scale CSE applications, hindering their broad adoption in both research and industry settings. In this paper, we present an open-source Python library (https://github.com/Crunch-UQ4MI), termed NeuralUQ and accompanied by an educational tutorial, for employing UQ methods for SciML in a convenient and structured manner. The library, designed for both educational and research purposes, supports multiple modern UQ methods and SciML models. It is based on a succinct workflow and facilitates flexible employment and easy extensions by the users. We first present a tutorial of NeuralUQ and subsequently demonstrate its applicability and efficiency in four diverse examples, involving dynamical systems and high-dimensional parametric and time-dependent PDEs.  ( 3 min )

Increasingly, scientific discovery requires sophisticated and scalable workflows. Workflows have become the ``new applications,'' wherein multi-scale computing campaigns comprise multiple and heterogeneous executable tasks. In particular, the introduction of AI/ML models into the traditional HPC workflows has been an enabler of highly accurate modeling, typically reducing computational needs compared to traditional methods. This chapter discusses various modes of integrating AI/ML models to HPC computations, resulting in diverse types of AI-coupled HPC workflows. The increasing need of coupling AI/ML and HPC across scientific domains is motivated, and then exemplified by a number of production-grade use cases for each mode. We additionally discuss the primary challenges of extreme-scale AI-coupled HPC campaigns -- task heterogeneity, adaptivity, performance -- and several framework and middleware solutions which aim to address them. While both HPC workflow and AI/ML computing paradigms are independently effective, we highlight how their integration, and ultimate convergence, is leading to significant improvements in scientific performance across a range of domains, ultimately resulting in scientific explorations otherwise unattainable.  ( 2 min )

The lack of sufficiently large open medical databases is one of the biggest challenges in AI-powered healthcare. Synthetic data created using Generative Adversarial Networks (GANs) appears to be a good solution to mitigate the issues with privacy policies. The other type of cure is decentralized protocol across multiple medical institutions without exchanging local data samples. In this paper, we explored unconditional and conditional GANs in centralized and decentralized settings. The centralized setting imitates studies on large but highly unbalanced skin lesion dataset, while the decentralized one simulates a more realistic hospital scenario with three institutions. We evaluated models' performance in terms of fidelity, diversity, speed of training, and predictive ability of classifiers trained on the generated synthetic data. In addition we provided explainability through exploration of latent space and embeddings projection focused both on global and local explanations. Calculated distance between real images and their projections in the latent space proved the authenticity and generalization of trained GANs, which is one of the main concerns in this type of applications. The open source code for conducted studies is publicly available at \url{https://github.com/aidotse/stylegan2-ada-pytorch}.  ( 3 min )

We present MR-Net, a general architecture for multiresolution neural networks, and a framework for imaging applications based on this architecture. Our coordinate-based networks are continuous both in space and in scale as they are composed of multiple stages that progressively add finer details. Besides that, they are a compact and efficient representation. We show examples of multiresolution image representation and applications to texture magnification and minification, and antialiasing.  ( 2 min )

Large language models (LLMs) have achieved state-of-the-art performance on a series of natural language understanding tasks. However, these LLMs might rely on dataset bias and artifacts as shortcuts for prediction. This has significantly hurt their Out-of-Distribution (OOD) generalization and adversarial robustness. In this paper, we provide a review of recent developments that address the robustness challenge of LLMs. We first introduce the concepts and robustness challenge of LLMs. We then introduce methods to identify shortcut learning behavior in LLMs, characterize the reasons for shortcut learning, as well as introduce mitigation solutions. Finally, we identify key challenges and introduce the connections of this line of research to other directions.  ( 2 min )

Following the success in language domain, the self-attention mechanism (transformer) is adopted in the vision domain and achieving great success recently. Additionally, as another stream, multi-layer perceptron (MLP) is also explored in the vision domain. These architectures, other than traditional CNNs, have been attracting attention recently, and many methods have been proposed. As one that combines parameter efficiency and performance with locality and hierarchy in image recognition, we propose gSwin, which merges the two streams; Swin Transformer and (multi-head) gMLP. We showed that our gSwin can achieve better accuracy on three vision tasks, image classification, object detection and semantic segmentation, than Swin Transformer, with smaller model size.  ( 2 min )

Using Machine Learning and Deep Learning to predict cognitive tasks from electroencephalography (EEG) signals has been a fast-developing area in Brain-Computer Interfaces (BCI). However, during the COVID-19 pandemic, data collection and analysis could be more challenging. The remote experiment during the pandemic yields several challenges, and we discuss the possible solutions. This paper explores machine learning algorithms that can run efficiently on personal computers for BCI classification tasks. The results show that Random Forest and RBF SVM perform well for EEG classification tasks. Furthermore, we investigate how to conduct such BCI experiments using affordable consumer-grade devices to collect EEG-based BCI data. In addition, we have developed the data collection protocol, EEG4Students, that grants non-experts who are interested in a guideline for such data collection. Our code and data can be found at https://github.com/GuangyaoDou/EEG4Students.  ( 2 min )

Adverse Childhood Experiences (ACEs) are defined as a collection of highly stressful, and potentially traumatic, events or circumstances that occur throughout childhood and/or adolescence. They have been shown to be associated with increased risks of mental health diseases or other abnormal behaviours in later lives. However, the identification of ACEs from textual data with Natural Language Processing (NLP) is challenging because (a) there are no NLP ready ACE ontologies; (b) there are few resources available for machine learning, necessitating the data annotation from clinical experts; (c) costly annotations by domain experts and large number of documents for supporting large machine learning models. In this paper, we present an ontology-driven self-supervised approach (derive concept embeddings using an auto-encoder from baseline NLP results) for producing a publicly available resource that would support large-scale machine learning (e.g., training transformer based large language models) on social media corpus. This resource as well as the proposed approach are aimed to facilitate the community in training transferable NLP models for effectively surfacing ACEs in low-resource scenarios like NLP on clinical notes within Electronic Health Records. The resource including a list of ACE ontology terms, ACE concept embeddings and the NLP annotated corpus is available at https://github.com/knowlab/ACE-NLP.  ( 2 min )

In some areas, such as Cognitive Linguistics, researchers are still using traditional techniques based on manual rules and patterns. Since the definition of shell noun is rather subjective and there are many exceptions, this time-consuming work had to be done by hand in the past when Deep Learning techniques were not mature enough. With the increasing number of networked languages, these rules are becoming less useful. However, there is a better alternative now. With the development of Deep Learning, pre-trained language models have provided a good technical basis for Natural Language Processing. Automated processes based on Deep Learning approaches are more in line with modern needs. This paper collaborates across borders to propose two Neural Network models for the automatic detection of shell nouns and experiment on the WikiText-2 dataset. The proposed approaches not only allow the entire process to be automated, but the precision has reached 94% even on completely unseen articles, comparable to that of human annotators. This shows that the performance and generalization ability of the model is good enough to be used for research purposes. Many new nouns are found that fit the definition of shell noun very well. All discovered shell nouns as well as pre-trained models and code are available on GitHub.  ( 3 min )

Training reinforcement learning (RL) agents using scalar reward signals is often infeasible when an environment has sparse and non-Markovian rewards. Moreover, handcrafting these reward functions before training is prone to misspecification, especially when the environment's dynamics are only partially known. This paper proposes a novel pipeline for learning non-Markovian task specifications as succinct finite-state `task automata' from episodes of agent experience within unknown environments. We leverage two key algorithmic insights. First, we learn a product MDP, a model composed of the specification's automaton and the environment's MDP (both initially unknown), by treating it as a partially observable MDP and using off-the-shelf algorithms for hidden Markov models. Second, we propose a novel method for distilling the task automaton (assumed to be a deterministic finite automaton) from the learnt product MDP. Our learnt task automaton enables the decomposition of a task into its constituent sub-tasks, which improves the rate at which an RL agent can later synthesise an optimal policy. It also provides an interpretable encoding of high-level environmental and task features, so a human can readily verify that the agent has learnt coherent tasks with no misspecifications. In addition, we take steps towards ensuring that the learnt automaton is environment-agnostic, making it well-suited for use in transfer learning. Finally, we provide experimental results to illustrate our algorithm's performance in different environments and tasks and its ability to incorporate prior domain knowledge to facilitate more efficient learning.  ( 3 min )

Learning from imbalanced data is a challenging task. Standard classification algorithms tend to perform poorly when trained on imbalanced data. Some special strategies need to be adopted, either by modifying the data distribution or by redesigning the underlying classification algorithm to achieve desirable performance. The prevalence of imbalance in real-world datasets has led to the creation of a multitude of strategies for the class imbalance issue. However, not all the strategies are useful or provide good performance in different imbalance scenarios. There are numerous approaches to dealing with imbalanced data, but the efficacy of such techniques or an experimental comparison among those techniques has not been conducted. In this study, we present a comprehensive analysis of 26 popular sampling techniques to understand their effectiveness in dealing with imbalanced data. Rigorous experiments have been conducted on 50 datasets with different degrees of imbalance to thoroughly investigate the performance of these techniques. A detailed discussion of the advantages and limitations of the techniques, as well as how to overcome such limitations, has been presented. We identify some critical factors that affect the sampling strategies and provide recommendations on how to choose an appropriate sampling technique for a particular application.  ( 2 min )

We study the problem of globally optimizing the causal effect on a target variable of an unknown causal graph in which interventions can be performed. This problem arises in many areas of science including biology, operations research and healthcare. We propose Causal Entropy Optimization (CEO), a framework that generalizes Causal Bayesian Optimization (CBO) to account for all sources of uncertainty, including the one arising from the causal graph structure. CEO incorporates the causal structure uncertainty both in the surrogate models for the causal effects and in the mechanism used to select interventions via an information-theoretic acquisition function. The resulting algorithm automatically trades-off structure learning and causal effect optimization, while naturally accounting for observation noise. For various synthetic and real-world structural causal models, CEO achieves faster convergence to the global optimum compared with CBO while also learning the graph. Furthermore, our joint approach to structure learning and causal optimization improves upon sequential, structure-learning-first approaches.

In many predictive decision-making scenarios, such as credit scoring and academic testing, a decision-maker must construct a model that accounts for agents' propensity to "game" the decision rule by changing their features so as to receive better decisions. Whereas the strategic classification literature has previously assumed that agents' outcomes are not causally affected by their features (and thus that strategic agents' goal is deceiving the decision-maker), we join concurrent work in modeling agents' outcomes as a function of their changeable attributes. As our main contribution, we provide efficient algorithms for learning decision rules that optimize three distinct decision-maker objectives in a realizable linear setting: accurately predicting agents' post-gaming outcomes (prediction risk minimization), incentivizing agents to improve these outcomes (agent outcome maximization), and estimating the coefficients of the true underlying model (parameter estimation). Our algorithms circumvent a hardness result of Miller et al. (2020) by allowing the decision maker to test a sequence of decision rules and observe agents' responses, in effect performing causal interventions through the decision rules.

Objective: To develop and validate an automated method for bedside monitoring of sleep state fluctuations in neonatal intensive care units. Methods: A deep learning -based algorithm was designed and trained using 53 EEG recordings from a long-term (a)EEG monitoring in 30 near-term neonates. The results were validated using an external dataset from 30 polysomnography recordings. In addition to training and validating a single EEG channel quiet sleep detector, we constructed Sleep State Trend (SST), a bedside-ready means for visualizing classifier outputs. Results: The accuracy of quiet sleep detection in the training data was 90%, and the accuracy was comparable (85-86%) in all bipolar derivations available from the 4-electrode recordings. The algorithm generalized well to an external dataset, showing 81% overall accuracy despite different signal derivations. SST allowed an intuitive, clear visualization of the classifier output. Conclusions: Fluctuations in sleep states can be detected at high fidelity from a single EEG channel, and the results can be visualized as a transparent and intuitive trend in the bedside monitors. Significance: The Sleep State Trend (SST) may provide caregivers a real-time view of sleep state fluctuations and its cyclicity.

Latent Dirichlet Allocation (LDA) is a probabilistic model used to uncover latent topics in a corpus of documents. Inference is often performed using variational Bayes (VB) algorithms, which calculate a lower bound to the posterior distribution over the parameters. Deriving the variational update equations for new models requires considerable manual effort; variational message passing (VMP) has emerged as a "black-box" tool to expedite the process of variational inference. But applying VMP in practice still presents subtle challenges, and the existing literature does not contain the steps that are necessary to implement VMP for the standard smoothed LDA model, nor are available black-box probabilistic graphical modelling software able to do the word-topic updates necessary to implement LDA. In this paper, we therefore present a detailed derivation of the VMP update equations for LDA. We see this as a first step to enabling other researchers to calculate the VMP updates for similar graphical models.

We provide an Information-Geometric formulation of Classical Mechanics on the Riemannian manifold of probability distributions, which is an affine manifold endowed with a dually-flat connection. In a non-parametric formalism, we consider the full set of positive probability functions on a finite sample space, and we provide a specific expression for the tangent and cotangent spaces over the statistical manifold, in terms of a Hilbert bundle structure that we call the Statistical Bundle. In this setting, we compute velocities and accelerations of a one-dimensional statistical model using the canonical dual pair of parallel transports and define a coherent formalism for Lagrangian and Hamiltonian mechanics on the bundle. Finally, in a series of examples, we show how our formalism provides a consistent framework for accelerated natural gradient dynamics on the probability simplex, paving the way for direct applications in optimization, game theory and neural networks.

The 2020 US Census will be published with differential privacy, implemented by injecting synthetic noise into the data. Controversy has ensued, with debates that center on the painful trade-off between the privacy of respondents and the precision of economic analysis. Is this trade-off inevitable? To answer this question, we formulate a semiparametric model of causal inference with high dimensional data that may be noisy, missing, discretized, or privatized. We propose a new end-to-end procedure for data cleaning, estimation, and inference with data cleaning-adjusted confidence intervals. We prove consistency, Gaussian approximation, and semiparametric efficiency by finite sample arguments. The rate of Gaussian approximation is $n^{-1/2}$ for semiparametric estimands such as average treatment effect, and it degrades gracefully for nonparametric estimands such as heterogeneous treatment effect. Our key assumption is that the true covariates are approximately low rank, which we interpret as approximate repeated measurements and validate in the Census. In our analysis, we provide nonasymptotic theoretical contributions to matrix completion, statistical learning, and semiparametric statistics. We verify the coverage of the data cleaning-adjusted confidence intervals in simulations. Finally, we conduct a semi-synthetic exercise calibrated to privacy levels mandated for the 2020 US Census.

We here adopt Bayesian nonparametric mixture models to extend multi-armed bandits in general, and Thompson sampling in particular, to scenarios where there is reward model uncertainty. In the stochastic multi-armed bandit, the reward for the played arm is generated from an unknown distribution. Reward uncertainty, i.e., the lack of knowledge about the reward-generating distribution, induces the exploration-exploitation trade-off: a bandit agent needs to simultaneously learn the properties of the reward distribution and sequentially decide which action to take next. In this work, we extend Thompson sampling to scenarios where there is reward model uncertainty by adopting Bayesian nonparametric Gaussian mixture models for flexible reward density estimation. The proposed Bayesian nonparametric mixture model Thompson sampling sequentially learns the reward model that best approximates the true, yet unknown, per-arm reward distribution, achieving successful regret performance. We derive, based on a novel posterior convergence based analysis, an asymptotic regret bound for the proposed method. In addition, we empirically evaluate its performance in diverse and previously elusive bandit environments, e.g., with rewards not in the exponential family, subject to outliers, and with different per-arm reward distributions. We show that the proposed Bayesian nonparametric Thompson sampling outperforms, both in averaged cumulative regret and in regret volatility, state-of-the-art alternatives. The proposed method is valuable in the presence of bandit reward model uncertainty, as it avoids stringent case-by-case model design choices, yet provides important regret savings.

Today, artificial intelligence systems driven by machine learning algorithms can be in a position to take important, and sometimes legally binding, decisions about our everyday lives. In many cases, however, these systems and their actions are neither regulated nor certified. To help counter the potential harm that such algorithms can cause we developed an open source toolbox that can analyse selected fairness, accountability and transparency aspects of the machine learning process: data (and their features), models and predictions, allowing to automatically and objectively report them to relevant stakeholders. In this paper we describe the design, scope, usage and impact of this Python package, which is published under the 3-Clause BSD open source licence.

Multitask Gaussian processes (MTGP) are the Gaussian process (GP) framework's solution for multioutput regression problems in which the $T$ elements of the regressors cannot be considered conditionally independent given the observations. Standard MTGP models assume that there exist both a multitask covariance matrix as a function of an intertask matrix, and a noise covariance matrix. These matrices need to be approximated by a low rank simplification of order $P$ in order to reduce the number of parameters to be learnt from $T^2$ to $TP$. Here we introduce a novel approach that simplifies the multitask learning by reducing it to a set of conditioned univariate GPs without the need for any low rank approximations, therefore completely eliminating the requirement to select an adequate value for hyperparameter $P$. At the same time, by extending this approach with both a hierarchical and an approximate model, the proposed extensions are capable of recovering the multitask covariance and noise matrices after learning only $2T$ parameters, avoiding the validation of any model hyperparameter and reducing the overall complexity of the model as well as the risk of overfitting. Experimental results over synthetic and real problems confirm the advantages of this inference approach in its ability to accurately recover the original noise and signal matrices, as well as the achieved performance improvement in comparison to other state of art MTGP approaches. We have also integrated the model with standard GP toolboxes, showing that it is computationally competitive with state of the art options.

Cost-sensitive classification is critical in applications where misclassification errors widely vary in cost. However, over-parameterization poses fundamental challenges to the cost-sensitive modeling of deep neural networks (DNNs). The ability of a DNN to fully interpolate a training dataset can render a DNN, evaluated purely on the training set, ineffective in distinguishing a cost-sensitive solution from its overall accuracy maximization counterpart. This necessitates rethinking cost-sensitive classification in DNNs. To address this challenge, this paper proposes a cost-sensitive adversarial data augmentation (CSADA) framework to make over-parameterized models cost-sensitive. The overarching idea is to generate targeted adversarial examples that push the decision boundary in cost-aware directions. These targeted adversarial samples are generated by maximizing the probability of critical misclassifications and used to train a model with more conservative decisions on costly pairs. Experiments on well-known datasets and a pharmacy medication image (PMI) dataset made publicly available show that our method can effectively minimize the overall cost and reduce critical errors, while achieving comparable performance in terms of overall accuracy.

Generalized self-concordance is a key property present in the objective function of many important learning problems. We establish the convergence rate of a simple Frank-Wolfe variant that uses the open-loop step size strategy $\gamma_t = 2/(t+2)$, obtaining a $\mathcal{O}(1/t)$ convergence rate for this class of functions in terms of primal gap and Frank-Wolfe gap, where $t$ is the iteration count. This avoids the use of second-order information or the need to estimate local smoothness parameters of previous work. We also show improved convergence rates for various common cases, e.g., when the feasible region under consideration is uniformly convex or polyhedral.

In the absence of explicit or tractable likelihoods, Bayesians often resort to approximate Bayesian computation (ABC) for inference. Our work bridges ABC with deep neural implicit samplers based on generative adversarial networks (GANs) and adversarial variational Bayes. Both ABC and GANs compare aspects of observed and fake data to simulate from posteriors and likelihoods, respectively. We develop a Bayesian GAN (B-GAN) sampler that directly targets the posterior by solving an adversarial optimization problem. B-GAN is driven by a deterministic mapping learned on the ABC reference by conditional GANs. Once the mapping has been trained, iid posterior samples are obtained by filtering noise at a negligible additional cost. We propose two post-processing local refinements using (1) data-driven proposals with importance reweighing, and (2) variational Bayes. We support our findings with frequentist-Bayesian results, showing that the typical total variation distance between the true and approximate posteriors converges to zero for certain neural network generators and discriminators. Our findings on simulated data show highly competitive performance relative to some of the most recent likelihood-free posterior simulators.

Outlier detection refers to the identification of data points that deviate from a general data distribution. Existing unsupervised approaches often suffer from high computational cost, complex hyperparameter tuning, and limited interpretability, especially when working with large, high-dimensional datasets. To address these issues, we present a simple yet effective algorithm called ECOD (Empirical-Cumulative-distribution-based Outlier Detection), which is inspired by the fact that outliers are often the "rare events" that appear in the tails of a distribution. In a nutshell, ECOD first estimates the underlying distribution of the input data in a nonparametric fashion by computing the empirical cumulative distribution per dimension of the data. ECOD then uses these empirical distributions to estimate tail probabilities per dimension for each data point. Finally, ECOD computes an outlier score of each data point by aggregating estimated tail probabilities across dimensions. Our contributions are as follows: (1) we propose a novel outlier detection method called ECOD, which is both parameter-free and easy to interpret; (2) we perform extensive experiments on 30 benchmark datasets, where we find that ECOD outperforms 11 state-of-the-art baselines in terms of accuracy, efficiency, and scalability; and (3) we release an easy-to-use and scalable (with distributed support) Python implementation for accessibility and reproducibility.

The learning of mixture models can be viewed as a clustering problem. Indeed, given data samples independently generated from a mixture of distributions, we often would like to find the {\it correct target clustering} of the samples according to which component distribution they were generated from. For a clustering problem, practitioners often choose to use the simple $k$-means algorithm. $k$-means attempts to find an {\it optimal clustering} that minimizes the sum-of-squares distance between each point and its cluster center. In this paper, we consider fundamental (i.e., information-theoretic) limits of the solutions (clusterings) obtained by optimizing the sum-of-squares distance. In particular, we provide sufficient conditions for the closeness of any optimal clustering and the correct target clustering assuming that the data samples are generated from a mixture of spherical Gaussian distributions. We also generalize our results to log-concave distributions. Moreover, we show that under similar or even weaker conditions on the mixture model, any optimal clustering for the samples with reduced dimensionality is also close to the correct target clustering. These results provide intuition for the informativeness of $k$-means (with and without dimensionality reduction) as an algorithm for learning mixture models.

We implement a trust region method on the GPU for nonlinear least squares curve fitting problems using a new deep learning Python library called JAX. Our open source package, JAXFit, works for both unconstrained and constrained curve fitting problems and allows the fit functions to be defined in Python alone -- without any specialized knowledge of either the GPU or CUDA programming. Since JAXFit runs on the GPU, it is much faster than CPU based libraries and even other GPU based libraries, despite being very easy to use. Additionally, due to JAX's deep learning foundations, the Jacobian in JAXFit's trust region algorithm is calculated with automatic differentiation, rather than than using derivative approximations or requiring the user to define the fit function's partial derivatives.

Motivated by online decision-making in time-varying combinatorial environments, we study the problem of transforming offline algorithms to their online counterparts. We focus on offline combinatorial problems that are amenable to a constant factor approximation using a greedy algorithm that is robust to local errors. For such problems, we provide a general framework that efficiently transforms offline robust greedy algorithms to online ones using Blackwell approachability. We show that the resulting online algorithms have $O(\sqrt{T})$ (approximate) regret under the full information setting. We further introduce a bandit extension of Blackwell approachability that we call Bandit Blackwell approachability. We leverage this notion to transform greedy robust offline algorithms into a $O(T^{2/3})$ (approximate) regret in the bandit setting. Demonstrating the flexibility of our framework, we apply our offline-to-online transformation to several problems at the intersection of revenue management, market design, and online optimization, including product ranking optimization in online platforms, reserve price optimization in auctions, and submodular maximization. We also extend our reduction to greedy-like first order methods used in continuous optimization, such as those used for maximizing continuous strong DR monotone submodular functions subject to convex constraints. We show that our transformation, when applied to these applications, leads to new regret bounds or improves the current known bounds. We complement our theoretical studies by conducting numerical simulations for two of our applications, in both of which we observe that the numerical performance of our transformations outperforms the theoretical guarantees in practical instances.

submitted by /u/gwern [link] [comments]  ( 88 min )

Hello r/MachineLearning, I am Skip Morrow. I volunteer as a FIRST Lego League (FLL) coach at a middle school in Virginia. I am hoping that we can get some assistance from the reddit community. If you are not familiar with the FIRST Lego League, it is a competition where teams around the world are challenged to think of a problem within our community related to an annual theme and then develop a solution to that problem (there's also a more familiar lego robotics competition as part of FLL, but this request is not about that). Past themes have included such things as water supply, transportation, and waste disposal. This year the theme is "energy"-- how do we produce it, use it, conserve it and dispose of it. I had an idea that we could learn about artificial intelligence and see how we could use AI/ML to conserve energy. This is where the reddit Machine Learning team comes in. We are hoping that there is a Machine Learning expert here that would be willing to spend a couple of hours (probably less than six) over the next three months helping our team learn about AI/ML and helping us come up with a product that we could demonstrate in front of some judges at a tournament in Nov. The involvement could consist of answering some emails and doing one or two Teams/Zoom/virtual meetings. I very much want to keep your impact to a minimum, but I am looking for something rewarding and enriching for the kids. If you like getting kids excited about STEM, you will love this. The kids on the team are future programers, engineers, scientists, etc, and eager to learn. It is guaranteed to be fun! Is there anyone here that might be able to help us? Or maybe you could share this with someone that might? Very Respectfully, Skip Morrow submitted by /u/SkipMorrow [link] [comments]  ( 90 min )

Hi all, I need help developing a pipeline to productionize our video tagging system. We have a deep learning model that takes video input and assigns labels to it. All of our videos are stored in S3 Glacier Deep archive, and it is very expensive to unfreeze them. We also have the videos available through Mux, but here we would have to download the video (to the container etc) before passing it to our model. As soon as a video is added to our collection, we update out PostgreSQL data base with the video info including the url on Mux. My apologies if my question is bit vague as I'm new to this. I need to accomplish the following with the production pipeline: - Monitor our PostgreSQL database and process videos as soon as they are added, and store the resulting tags back in the PostgreSQL database. - ^ this would be ideal. But as a preliminary step, maybe we can pass a video_id manually, and the pipeline should process that video and store the labels. Any help would be appreciated. submitted by /u/therobot20 [link] [comments]  ( 89 min )

​ https://preview.redd.it/8vrzhm8l4xj91.jpg?width=640&format=pjpg&auto=webp&s=9a5e7fb4694981d9f9184a9fdc099c96273c60a4 https://preview.redd.it/vyrc59624xj91.png?width=1350&format=png&auto=webp&s=b25f1b106ad5c97ed62e8ed8088b3e3a43991480 colab for img2img: https://colab.research.google.com/drive/1NfgqublyT_MWtR5CsmrgmdnkWiijF3P3?usp=sharing colab for inpainting: https://colab.research.google.com/drive/1whhIiXxjQjbBuiq4lqwh-AlLIjh3l1OB demo built with gradio: https://github.com/gradio-app/gradio hosted web demo for stable diffusion: https://huggingface.co/spaces/stabilityai/stable-diffusion submitted by /u/Illustrious_Row_9971 [link] [comments]  ( 88 min )

Diffusion models are largely transitioning to an aesthetic-score aided dataset , to give more precise scoring system input to the discriminator, in many cases this results in tremendously better quality at 10x less data used than datasets without aesthetic rating for individual images My question is , why havent anyone made a similar mod for StyleGAN2 or StyleGAN3? Whats stopping GANs from implementing a similar system? from my understanding of GANs , it would be an even more exponential help for them, since GAN discriminators right now lack any fine-gradients when it comes to guiding them on image quality fake-real rating and bad samples inside the dataset can often ruin the Discriminator from further improving. submitted by /u/CranberryMean3990 [link] [comments]  ( 90 min )

Has anyone applied to the newly opened OpenAI residency program to begin in January 2023? submitted by /u/rooney119 [link] [comments]  ( 89 min )

Hey there r/ml! I'm working on a talk/blog on a related topic and was curious to see what the case is for the sub. Thought of creating a poll, but I think each case would be a bit different so I don't want to constrain people too much. If you deploy ML to production in your group/team/company – what does production mean for you? Examples: "We run a model once a week that predicts some stuff and stores it in a table, then the customer queries it" "We create an inference endpoint on some cloud resource, which our product/users use to predict poses in videos" "I wish I knew, we're still figuring it out" "We deploy a model as part of a larger pipeline in a system of microservices (and other buzzwords)" Also, if you are in an extra-sharing mood – in your version of production, were there any counter-intuitive things you learned when you first set up the pipeline? Cheers! Enjoy the picture Dall-E2 made for you of a cat asking for upvotes in return. Cat asking for upvotes submitted by /u/PhYsIcS-GUY227 [link] [comments]  ( 112 min )

I'm soon to be starting a PhD in machine learning and am trying to build up an academic Twitter page to keep up with the space and make my own updates. At the moment, I'm following some academics I have been particularly interested in when reading their work; however, I'm sure there's large Twitter pages which I've not followed that give really interesting insights into the SOTA. As a result, for the benefit of myself and everyone else on this subreddit, I'm wondering if anyone has any really interesting for accounts to follow under the umbrella of 'Machine Learning', all disciplines welcome! submitted by /u/mouldygoldie [link] [comments]  ( 89 min )

Did anyone else notice that it costs €200 to attend NeurIPS 2022 virtually? What are your thoughts on this? submitted by /u/celestiallylovedone [link] [comments]  ( 89 min )

In the news this week is a major story about Twitter's top Information Security executive, Peiter "Mudge" Zatko, turning whistleblower. Mudge is a legend in the security community and he is a former DARPA program manager -- he's legit. His report is a bombshell on what a complete disaster Twitter's information security posture really is. If you're a security person, this is worth the read. However, while the media's been very focused on the security problems, this nugget seems to be glossed over: it appears that Twitter knowingly used ML software in a commercial production environment for years without proper licensing. ~~~ Excerpts from the report: Page 38: Item 70. Unlicensed machine learning materials for core algorithms: In January 2022, in the days before he was terminated, Mudge …  ( 101 min )

Is there a way to extract compass degree data from googlestreetview using python.?? ​ submitted by /u/Little-Chocolate269 [link] [comments]  ( 89 min )

Hi, There is always a single object on the image that must be detected and cropped. I have trained yoloV5 using the dataset in which all the images are aligned such that the rectangle edge is parallel with the horizon. The model achieves excellent results. Now, I would like to upgrade the solution such that it would determine the object rotation (in case the object on the image is rotated). To train the new model, I have the same dataset (all objects have a rotation angle of 0 degrees). The idea is to create a new dataset by randomly selecting an angle, rotating the image, and recalculating the rectangle angles accordingly. Below is the image representing the transformation (left original image, right rotated): rotation In the original dataset, the annotations are in yolo format - relative values (x_center, y_center, width height). From these values, I have calculated the coordinates (x1, y1), (x2, y2), (x3, y3), (x4, y4). After applying rotation around the axis located in the center of the object, I have to recalculate the new coordinates of rectangle corners (I have not done that yet and am looking for a simple solution rather than applying trigonometric functions, so I would appreciate it if anyone knows any library that simplifies the calculation). ​ After preparing the dataset, I plan to try Yolov5 for Oriented Object Detection. ​ I am not sure if there is any more straightforward solution to determine rotation and prepare the dataset in the case of using yolov5 OOD. ​ I would appreciate any suggestions about how to implement rotation detection by having the dataset of objects with rotation angles 0. submitted by /u/ThickDoctor007 [link] [comments]  ( 107 min )

I'm trying to use a vision transformer to use embeddings. The issue is, the vision transformer from timm has the parameters embed_dim and num_classes. The output vector from the vision transformer is num_classes in length. I'm not trying to do a classification problem, I'm trying to train my own CLIP-like model, which means I want embeddings. (I.e., maybe the last layer takes the embeddings and turns it into the class vector, which I don't want). Is it fine to just use the vector that is num_classes in length as the embedding vector, or is there a particular layer I need to strip? Somewhat unrelated, does anyone know what the width parameter is, in a vision transformer? submitted by /u/throwaway119284 [link] [comments]  ( 90 min )

What I need: Be able to read papers and understand principles of work Understand how work GPT-3 Understand how work Stable Diffusion etc What is learning path for absolute zero? ​ - It means short as intensive and capable of leading to tangible results in a short time. Without unnecessary distractions (which can be mastered later). Learning is a never-ending process and I didn't mean to learn quickly and stop. submitted by /u/fhv3hk71 [link] [comments]  ( 107 min )

submitted by /u/coleflannery [link] [comments]  ( 87 min )

submitted by /u/nkubiak [link] [comments]  ( 97 min )

submitted by /u/Futures_Bot [link] [comments]  ( 88 min )

submitted by /u/pmz [link] [comments]  ( 93 min )

submitted by /u/Lakshmireddys [link] [comments]  ( 87 min )

Hi everyone, We just finished a project and developed a platform for evaluating the robustness of AI models against adversarial attacks and natural noises. Perhaps some of you have experience with similar open source tools and framework(e.g. ART), but we believe our platform is ultimately a MLOps platform rather than a library, and provides the user with the capability to expand various attacks (many not available in ART) to other tasks. Additionally, the platform is not focused on just adversarial robustness, but on natural robustness capabilities with domain adaptation options as well. Our platform is free for testing in the next 30 days, you can get access via this link: https://guardai.navinfo.cloud/#/ , we are more than happy to answer your questions and receive your feedback. If you want to learn more about it, we also created this simple landing page for your reference. https://www.navinfo.eu/services/cybersecurity/guardai/ submitted by /u/GuardAITeam [link] [comments]  ( 87 min )

submitted by /u/Shaddersss [link] [comments]  ( 87 min )

submitted by /u/juliarmg [link] [comments]  ( 87 min )

The latest solution from the Colossal-AI team (https://github.com/hpcaitech/ColossalAI) and BioMap for protein monomer and multimer structure prediction, xTrimo Multimer, has recently become open-source to the public. This new solution can predict both monomer and multimer structure simultaneously accelerating the process by up to 11 times! https://preview.redd.it/xeg7wb79btj91.png?width=852&format=png&auto=webp&s=5a9308c9e87691e8a6082d9d3926f10a87e272a6 The hero behind is Colossal-AI, which is a powerful deep learning system that aims to make large AI model training easy and accessible in the community and industry. By integrating large model training techniques and optimizations provided by Colossal-AI, we can significantly reduce the time and cost of both protein monomer and multimer …  ( 94 min )

It use v2v tech from Movio https://reddit.com/link/wx775y/video/qp3cz1n46tj91/player submitted by /u/Ok_Asparagus_964 [link] [comments]  ( 87 min )

Machine learning (ML) model deployments can have very demanding performance and latency requirements for businesses today. Use cases such as fraud detection and ad placement are examples where milliseconds matter and are critical to business success. Strict service level agreements (SLAs) need to be met, and a typical request may require multiple steps such as […]  ( 13 min )

In the digital world, providing information in a local language isn’t novel, but it can be a tedious and expensive task. Advancements in machine learning (ML) and natural language processing (NLP) have made this task much easier and less expensive. We have seen increased adoption of ML for multi-lingual data and document processing workloads. Enterprise […]  ( 8 min )

Posted by Tingbo Hou and Juhyun Lee, Software Engineers, Google In recent years video conferencing has played an increasingly important role in both work and personal communication for many users. Over the past two years, we have enhanced this experience in Google Meet by introducing privacy-preserving machine learning (ML) powered background features, also known as “virtual green screen”, which allows users to blur their backgrounds or replace them with other images. What is unique about this solution is that it runs directly in the browser without the need to install additional software. So far, these ML-powered features have relied on CPU inference made possible by leveraging neural network sparsity, a common solution that works across devices, from entry level computers to high-end …  ( 23 min )

submitted by /u/gwern [link] [comments]  ( 87 min )

I am currently training an agent to find the minimal number to steps to take when going from one position to another in a 4x4 grid. When I train the agent where the start position is one corner of the grid([0,0]) and end position is another corner of the grid([3,3]) ONLY, the agent goes diagonally, which is the desired optimal path. But, when I train the agent where the starting position can be either [0,0] or [3,3], and the ending position is opposite to that ie. [3,3] or [0,0], the agent does not trace out the diagonal path. In fact, the agent moves along the side of the box. To further illustrate, when the start position and end position are [0,0] and [3,3] respectively, the agent moves horizontally right and then vertically down on one side of the box to reach the final destination. But, when the start position and end position are [3,3] and [0,0] respectively, the agent now move horizontally left and then vertically up on the other side of other box thus not tracing the same path. My question: What might have caused the agent not to take the diagonal path, and what would you suggest for the workaround this problem? More details: When I train the agent, where the optimal path is vertical, along both directions, the NN is finding much harder to converge. Eg: When I train the agent where start and end position are [0,0] and [3,0] or [3,0] and [0,0]. submitted by /u/Icy_Improvement_5527 [link] [comments]  ( 92 min )

so I'm trying somehow to integrate e-greedy exploring to my pop also, now my select_action is like this: def select_action(self, epsilon, state):#only used when interact with the env with torch.no_grad(): state = torch.FloatTensor(state.reshape(1, -1)).to(device) dist = self.actor.get_dist(state) r = random.uniform(0,1) if r < epsilon: a = random.uniform(0,1) else: a = dist.sample() a = torch.clamp(a, 0, 1) logprob_a = dist.log_prob(a).cpu().numpy().flatten() return a.cpu().numpy().flatten(), logprob_a expectedly it throws the error: ValueError: The value argument to log_prob must be a Tensor what should I do? should I have a separate uniform dist? submitted by /u/White_Sirilo [link] [comments]  ( 88 min )

Hello, I am currently looking into reinforcement learning for wind farm control, and I were thinking about training an agent on a 3x3 wind farm, and then trying to utilize transfer learning to get it to work on a (for example) 6x6 wind farm. That would mean that my action space changes from 9 actions to 36 in this case. Would this even be possible, and how would I handle this change in action space? I am still quite new to this topic, so if you have a link to some papers or repositories that would be a big help. submitted by /u/IAmActuallyMarcus [link] [comments]  ( 88 min )

Looking for a change of art? Try using AI — that’s what 3D artist Nikola Damjanov is doing. Based in Serbia, Damjanov has over 15 years of experience in the graphics industry, from making 3D models and animations to creating high-quality visual effects for music videos and movies. Now an artist at game developer company Read article > The post 3D Artist Creates Blooming, Generative Sculptures With NVIDIA RTX and AI appeared first on NVIDIA Blog.  ( 5 min )

E-commerce sales have skyrocketed as more people shop remotely, spurred by the pandemic. But this surge has also led fraudsters to use the opportunity to scam retailers and customers, according to David Sutton, director of analytical technology at fintech company Featurespace. The company, headquartered in the U.K., has developed AI-powered technology to increase the speed Read article > The post Fintech Company Blocks Fraud Attacks for Financial Institutions With AI and NVIDIA GPUs appeared first on NVIDIA Blog.  ( 6 min )

Some weeks, GFN Thursday reveals new or unique features. Other weeks, it’s a cool reward. And every week, it offers its members new games. This week, it’s all of the above. First, Saints Row marches into GeForce NOW. Be your own boss in the new reboot of the classic open-world criminal adventure series, now available Read article > The post GFN Thursday Adds ‘Saints Row,’ ‘Genshin Impact’ on Mobile With Touch Controls appeared first on NVIDIA Blog.  ( 6 min )

What would it take to get humanoid, bipedal robots to dance like Mick Jagger? Indeed, for something more mundane, what does it take to get them to simply stand still? Sit down? Walk? Move in myriads of other ways many people take for granted? Bipedalism provides unparalleled versatility in an environment designed for and by […] The post MoCapAct: Training humanoid robots to “Move Like Jagger” appeared first on Microsoft Research.  ( 11 min )

What is neural network ?  ( 8 min )

Multi-scenario recommendation is dedicated to retrieve relevant items for users in multiple scenarios, which is ubiquitous in industrial recommendation systems. These scenarios enjoy portions of overlaps in users and items, while the distribution of different scenarios is different. The key point of multi-scenario modeling is to efficiently maximize the use of whole-scenario information and granularly generate adaptive representations both for users and items among multiple scenarios. we summarize three practical challenges which are not well solved for multi-scenario modeling: (1) Lacking of fine-grained and decoupled information transfer controls among multiple scenarios. (2) Insufficient exploitation of entire space samples. (3) Item's multi-scenario representation disentanglement problem. In this paper, we propose a Scenario-Adaptive and Self-Supervised (SASS) model to solve the three challenges mentioned above. Specifically, we design a Multi-Layer Scenario Adaptive Transfer (ML-SAT) module with scenario-adaptive gate units to select and fuse effective transfer information from whole scenario to individual scenario in a quite fine-grained and decoupled way. To sufficiently exploit the power of entire space samples, a two-stage training process including pre-training and fine-tune is introduced. The pre-training stage is based on a scenario-supervised contrastive learning task with the training samples drawn from labeled and unlabeled data spaces. The model is created symmetrically both in user side and item side, so that we can get distinguishing representations of items in different scenarios. Extensive experimental results on public and industrial datasets demonstrate the superiority of the SASS model over state-of-the-art methods. This model also achieves more than 8.0% improvement on Average Watching Time Per User in online A/B tests.

Time series anomaly detection is extensively studied in statistics, economics, and computer science. Over the years, numerous methods have been proposed for time series anomaly detection using deep learning-based methods. Many of these methods demonstrate state-of-the-art performance on benchmark datasets, giving the false impression that these systems are robust and deployable in many practical and industrial real-world scenarios. In this paper, we demonstrate that the performance of state-of-the-art anomaly detection methods is degraded substantially by adding only small adversarial perturbations to the sensor data. We use different scoring metrics such as prediction errors, anomaly, and classification scores over several public and private datasets ranging from aerospace applications, server machines, to cyber-physical systems in power plants. Under well-known adversarial attacks from Fast Gradient Sign Method (FGSM) and Projected Gradient Descent (PGD) methods, we demonstrate that state-of-the-art deep neural networks (DNNs) and graph neural networks (GNNs) methods, which claim to be robust against anomalies and have been possibly integrated in real-life systems, have their performance drop to as low as 0%. To the best of our understanding, we demonstrate, for the first time, the vulnerabilities of anomaly detection systems against adversarial attacks. The overarching goal of this research is to raise awareness towards the adversarial vulnerabilities of time series anomaly detectors.

This paper proposes a Disentangled gEnerative cAusal Representation (DEAR) learning method under appropriate supervised information. Unlike existing disentanglement methods that enforce independence of the latent variables, we consider the general case where the underlying factors of interests can be causally related. We show that previous methods with independent priors fail to disentangle causally related factors even under supervision. Motivated by this finding, we propose a new disentangled learning method called DEAR that enables causal controllable generation and causal representation learning. The key ingredient of this new formulation is to use a structural causal model (SCM) as the prior distribution for a bidirectional generative model. The prior is then trained jointly with a generator and an encoder using a suitable GAN algorithm incorporated with supervised information on the ground-truth factors and their underlying causal structure. We provide theoretical justification on the identifiability and asymptotic convergence of the proposed method. We conduct extensive experiments on both synthesized and real data sets to demonstrate the effectiveness of DEAR in causal controllable generation, and the benefits of the learned representations for downstream tasks in terms of sample efficiency and distributional robustness.

Traditional analyses in non-convex optimization typically rely on the smoothness assumption, namely requiring the gradients to be Lipschitz. However, recent evidence shows that this smoothness condition does not capture the properties of some deep learning objective functions, including the ones involving Recurrent Neural Networks and LSTMs. Instead, they satisfy a much more relaxed condition, with potentially unbounded smoothness. Under this relaxed assumption, it has been theoretically and empirically shown that the gradient-clipped SGD has an advantage over the vanilla one. In this paper, we show that clipping is not indispensable for Adam-type algorithms in tackling such scenarios: we theoretically prove that a generalized SignSGD algorithm can obtain similar convergence rates as SGD with clipping but does not need explicit clipping at all. This family of algorithms on one end recovers SignSGD and on the other end closely resembles the popular Adam algorithm. Our analysis underlines the critical role that momentum plays in analyzing SignSGD-type and Adam-type algorithms: it not only reduces the effects of noise, thus removing the need for large mini-batch in previous analyses of SignSGD-type algorithms, but it also substantially reduces the effects of unbounded smoothness and gradient norms. We also compare these algorithms with popular optimizers on a set of deep learning tasks, observing that we can match the performance of Adam while beating the others.

A precise forecast for droughts is of considerable value to scientific research, agriculture, and water resource management. With emerging developments of data-driven approaches for hydro-climate modeling, this paper investigates an AutoML-based framework to forecast droughts in the U.S. Compared with commonly-used temporal deep learning models, the AutoML model can achieve comparable performance with less training data and time. As deep learning models are becoming popular for Earth system modeling, this paper aims to bring more efforts to AutoML-based methods, and the use of them as benchmark baselines for more complex deep learning models.

In this work, we present the SOMOS dataset, the first large-scale mean opinion scores (MOS) dataset consisting of solely neural text-to-speech (TTS) samples. It can be employed to train automatic MOS prediction systems focused on the assessment of modern synthesizers, and can stimulate advancements in acoustic model evaluation. It consists of 20K synthetic utterances of the LJ Speech voice, a public domain speech dataset which is a common benchmark for building neural acoustic models and vocoders. Utterances are generated from 200 TTS systems including vanilla neural acoustic models as well as models which allow prosodic variations. An LPCNet vocoder is used for all systems, so that the samples' variation depends only on the acoustic models. The synthesized utterances provide balanced and adequate domain and length coverage. We collect MOS naturalness evaluations on 3 English Amazon Mechanical Turk locales and share practices leading to reliable crowdsourced annotations for this task. We provide baseline results of state-of-the-art MOS prediction models on the SOMOS dataset and show the limitations that such models face when assigned to evaluate TTS utterances.

We present a motion planning algorithm for a class of uncertain control-affine nonlinear systems which guarantees runtime safety and goal reachability when using high-dimensional sensor measurements (e.g., RGB-D images) and a learned perception module in the feedback control loop. First, given a dataset of states and observations, we train a perception system that seeks to invert a subset of the state from an observation, and estimate an upper bound on the perception error which is valid with high probability in a trusted domain near the data. Next, we use contraction theory to design a stabilizing state feedback controller and a convergent dynamic state observer which uses the learned perception system to update its state estimate. We derive a bound on the trajectory tracking error when this controller is subjected to errors in the dynamics and incorrect state estimates. Finally, we integrate this bound into a sampling-based motion planner, guiding it to return trajectories that can be safely tracked at runtime using sensor data. We demonstrate our approach in simulation on a 4D car, a 6D planar quadrotor, and a 17D manipulation task with RGB(-D) sensor measurements, demonstrating that our method safely and reliably steers the system to the goal, while baselines that fail to consider the trusted domain or state estimation errors can be unsafe.

We introduce an efficient video segmentation system for resource-limited edge devices leveraging heterogeneous compute. Specifically, we design network models by searching across multiple dimensions of specifications for the neural architectures and operations on top of already light-weight backbones, targeting commercially available edge inference engines. We further analyze and optimize the heterogeneous data flows in our systems across the CPU, the GPU and the NPU. Our approach has empirically factored well into our real-time AR system, enabling remarkably higher accuracy with quadrupled effective resolutions, yet at much shorter end-to-end latency, much higher frame rate, and even lower power consumption on edge platforms.

This paper provides a comprehensive survey of bias mitigation methods for achieving fairness in Machine Learning (ML) models. We collect a total of 341 publications concerning bias mitigation for ML classifiers. These methods can be distinguished based on their intervention procedure (i.e., pre-processing, in-processing, post-processing) and the technology they apply. We investigate how existing bias mitigation methods are evaluated in the literature. In particular, we consider datasets, metrics and benchmarking. Based on the gathered insights (e.g., what is the most popular fairness metric? How many datasets are used for evaluating bias mitigation methods?). We hope to support practitioners in making informed choices when developing and evaluating new bias mitigation methods.

Most translation tasks among languages belong to the zero-resource translation problem where parallel corpora are unavailable. Multilingual neural machine translation (MNMT) enables one-pass translation using shared semantic space for all languages compared to the two-pass pivot translation but often underperforms the pivot-based method. In this paper, we propose a novel method, named as Unified Multilingual Multiple teacher-student Model for NMT (UM4). Our method unifies source-teacher, target-teacher, and pivot-teacher models to guide the student model for the zero-resource translation. The source teacher and target teacher force the student to learn the direct source to target translation by the distilled knowledge on both source and target sides. The monolingual corpus is further leveraged by the pivot-teacher model to enhance the student model. Experimental results demonstrate that our model of 72 directions significantly outperforms previous methods on the WMT benchmark.

Electrocardiogram (ECG) datasets tend to be highly imbalanced due to the scarcity of abnormal cases. Additionally, the use of real patients' ECGs is highly regulated due to privacy issues. Therefore, there is always a need for more ECG data, especially for the training of automatic diagnosis machine learning models, which perform better when trained on a balanced dataset. We studied the synthetic ECG generation capability of 5 different models from the generative adversarial network (GAN) family and compared their performances, the focus being only on Normal cardiac cycles. Dynamic Time Warping (DTW), Fr\'echet, and Euclidean distance functions were employed to quantitatively measure performance. Five different methods for evaluating generated beats were proposed and applied. We also proposed 3 new concepts (threshold, accepted beat and productivity rate) and employed them along with the aforementioned methods as a systematic way for comparison between models. The results show that all the tested models can, to an extent, successfully mass-generate acceptable heartbeats with high similarity in morphological features, and potentially all of them can be used to augment imbalanced datasets. However, visual inspections of generated beats favors BiLSTM-DC GAN and WGAN, as they produce statistically more acceptable beats. Also, with regards to productivity rate, the Classic GAN is superior with a 72% productivity rate. We also designed a simple experiment with the state-of-the-art classifier (ECGResNet34) to show empirically that the augmentation of the imbalanced dataset by synthetic ECG signals could improve the performance of classification significantly.

Signed networks allow us to model conflicting relationships and interactions, such as friend/enemy and support/oppose. These signed interactions are often temporal in real-world datasets, where new nodes and links appear over time. Modeling such dynamics of signed networks is crucial to understanding the evolution of polarization in the network and enabling effective prediction of the signed structure (i.e., link signs and signed weights) in the future. However, existing works have modeled either (static) signed networks or dynamic (unsigned) networks but not dynamic signed networks. Since both sign and dynamics inform the graph structure in different ways, it is non-trivial to model how to combine the two features. In this work, we propose a new Graph Neural Network (GNN)-based approach to model dynamic signed networks, named SEMBA: Signed link's Evolution using Memory modules and Balanced Aggregation. Here, the idea is to incorporate the signs of temporal interactions using separate modules guided by balance theory and to evolve the embeddings from a higher-order neighborhood. Experiments on 4 real-world datasets demonstrate that SEMBA consistently and significantly outperforms the baselines by upto $9\%$ on the tasks of predicting signs and signed weights of future links. SEMBA specifically improves prediction on minority negative class by reducing the false positive rate by upto $50\%$ and by learning the weight distribution with an improvement of $69\%$ in the KL-divergence.

This paper presents a novel feature selection method based on the conditional mutual information (CMI). The proposed High Order Conditional Mutual Information Maximization (HOCMIM) incorporates high order dependencies into the feature selection procedure and has a straightforward interpretation due to its bottom-up derivation. The HOCMIM is derived from the CMI's chain expansion and expressed as a maximization optimization problem. The maximization problem is solved using a greedy search procedure, which speeds up the entire feature selection process. The experiments are run on a set of benchmark datasets (20 in total). The HOCMIM is compared with eighteen state-of-the-art feature selection algorithms, from the results of two supervised learning classifiers (Support Vector Machine and K-Nearest Neighbor). The HOCMIM achieves the best results in terms of accuracy and shows to be faster than high order feature selection counterparts.

In Bora et al. (2017), a mathematical framework was developed for compressed sensing guarantees in the setting where the measurement matrix is Gaussian and the signal structure is the range of a generative neural network (GNN). The problem of compressed sensing with GNNs has since been extensively analyzed when the measurement matrix and/or network weights follow a subgaussian distribution. We move beyond the subgaussian assumption, to measurement matrices that are derived by sampling uniformly at random rows of a unitary matrix (including subsampled Fourier measurements as a special case). Specifically, we prove the first known restricted isometry guarantee for generative compressed sensing with subsampled isometries, and provide recovery bounds with nearly order-optimal sample complexity, addressing an open problem of Scarlett et al. (2022, p. 10). Recovery efficacy is characterized by the coherence, a new parameter, which measures the interplay between the range of the network and the measurement matrix. Our approach relies on subspace counting arguments and ideas central to high-dimensional probability. Furthermore, we propose a regularization strategy for training GNNs to have favourable coherence with the measurement operator. We provide compelling numerical simulations that support this regularized training strategy: our strategy yields low coherence networks that require fewer measurements for signal recovery. This, together with our theoretical results, supports coherence as a natural quantity for characterizing generative compressed sensing with subsampled isometries.

We consider online reinforcement learning in Mean-Field Games. In contrast to the existing works, we alleviate the need for a mean-field oracle by developing an algorithm that estimates the mean-field and the optimal policy using a single sample path of the generic agent. We call this Sandbox Learning, as it can be used as a warm-start for any agent operating in a multi-agent non-cooperative setting. We adopt a two timescale approach in which an online fixed-point recursion for the mean-field operates on a slower timescale and in tandem with a control policy update on a faster timescale for the generic agent. Under a sufficient exploration condition, we provide finite sample convergence guarantees in terms of convergence of the mean-field and control policy to the mean-field equilibrium. The sample complexity of the Sandbox learning algorithm is $\mathcal{O}(\epsilon^{-4})$. Finally, we empirically demonstrate effectiveness of the sandbox learning algorithm in a congestion game.

Detecting fraudulent transactions is an essential component to control risk in e-commerce marketplaces. Apart from rule-based and machine learning filters that are already deployed in production, we want to enable efficient real-time inference with graph neural networks (GNNs), which is useful to catch multihop risk propagation in a transaction graph. However, two challenges arise in the implementation of GNNs in production. First, future information in a dynamic graph should not be considered in message passing to predict the past. Second, the latency of graph query and GNN model inference is usually up to hundreds of milliseconds, which is costly for some critical online services. To tackle these challenges, we propose a Batch and Real-time Inception GrapH Topology (BRIGHT) framework to conduct an end-to-end GNN learning that allows efficient online real-time inference. BRIGHT framework consists of a graph transformation module (Two-Stage Directed Graph) and a corresponding GNN architecture (Lambda Neural Network). The Two-Stage Directed Graph guarantees that the information passed through neighbors is only from the historical payment transactions. It consists of two subgraphs representing historical relationships and real-time links, respectively. The Lambda Neural Network decouples inference into two stages: batch inference of entity embeddings and real-time inference of transaction prediction. Our experiments show that BRIGHT outperforms the baseline models by >2\% in average w.r.t.~precision. Furthermore, BRIGHT is computationally efficient for real-time fraud detection. Regarding end-to-end performance (including neighbor query and inference), BRIGHT can reduce the P99 latency by >75\%. For the inference stage, our speedup is on average 7.8$\times$ compared to the traditional GNN.

Federated learning models are collaboratively developed upon valuable training data owned by multiple parties. During the development and deployment of federated models, they are exposed to risks including illegal copying, re-distribution, misuse and/or free-riding. To address these risks, the ownership verification of federated learning models is a prerequisite that protects federated learning model intellectual property rights (IPR) i.e., FedIPR. We propose a novel federated deep neural network (FedDNN) ownership verification scheme that allows private watermarks to be embedded and verified to claim legitimate IPR of FedDNN models. In the proposed scheme, each client independently verifies the existence of the model watermarks and claims respective ownership of the federated model without disclosing neither private training data nor private watermark information. The effectiveness of embedded watermarks is theoretically justified by the rigorous analysis of conditions under which watermarks can be privately embedded and detected by multiple clients. Moreover, extensive experimental results on computer vision and natural language processing tasks demonstrate that varying bit-length watermarks can be embedded and reliably detected without compromising original model performances. Our watermarking scheme is also resilient to various federated training settings and robust against removal attacks.

Disinformation refers to false information deliberately spread to influence the general public, and the negative impact of disinformation on society can be observed in numerous issues, such as political agendas and manipulating financial markets. In this paper, we identify prevalent challenges and advances related to automated disinformation detection from multiple aspects and propose a comprehensive and explainable disinformation detection framework called DISCO. It leverages the heterogeneity of disinformation and addresses the opaqueness of prediction. Then we provide a demonstration of DISCO on a real-world fake news detection task with satisfactory detection accuracy and explanation. The demo video and source code of DISCO is now publicly available https://github.com/DongqiFu/DISCO. We expect that our demo could pave the way for addressing the limitations of identification, comprehension, and explainability as a whole.

Federated training of large deep neural networks can often be restrictive due to the increasing costs of communicating the updates with increasing model sizes. Various model pruning techniques have been designed in centralized settings to reduce inference times. Combining centralized pruning techniques with federated training seems intuitive for reducing communication costs -- by pruning the model parameters right before the communication step. Moreover, such a progressive model pruning approach during training can also reduce training times/costs. To this end, we propose FedSparsify, which performs model pruning during federated training. In our experiments in centralized and federated settings on the brain age prediction task (estimating a person's age from their brain MRI), we demonstrate that models can be pruned up to 95% sparsity without affecting performance even in challenging federated learning environments with highly heterogeneous data distributions. One surprising benefit of model pruning is improved model privacy. We demonstrate that models with high sparsity are less susceptible to membership inference attacks, a type of privacy attack.

Training Deep Neural Networks (DNNs) is a widely popular workload in both enterprises and cloud data centers. Existing schedulers for DNN training consider GPU as the dominant resource, and allocate other resources such as CPU and memory proportional to the number of GPUs requested by the job. Unfortunately, these schedulers do not consider the impact of a job's sensitivity to allocation of CPU, memory, and storage resources. In this work, we propose Synergy, a resource-sensitive scheduler for shared GPU clusters. Synergy infers the sensitivity of DNNs to different resources using optimistic profiling; some jobs might benefit from more than the GPU-proportional allocation and some jobs might not be affected by less than GPU-proportional allocation. Synergy performs such multi-resource workload-aware assignments across a set of jobs scheduled on shared multi-tenant clusters using a new near-optimal online algorithm. Our experiments show that workload-aware CPU and memory allocations can improve average JCT up to 3.4x when compared to traditional GPU-proportional scheduling.

We study fairness in the context of classification where the performance is measured by the area under the curve (AUC) of the receiver operating characteristic. AUC is commonly used to measure the performance of prediction models. The same classifier can have significantly varying AUCs for different protected groups and, in real-world applications, it is often desirable to reduce such cross-group differences. We address the problem of how to acquire additional features to most greatly improve AUC for the disadvantaged group. We develop a novel approach, fairAUC, based on feature augmentation (adding features) to mitigate bias between identifiable groups. The approach requires only a few summary statistics to offer provable guarantees on AUC improvement, and allows managers flexibility in determining where in the fairness-accuracy tradeoff they would like to be. We evaluate fairAUC on synthetic and real-world datasets and find that it significantly improves AUC for the disadvantaged group relative to benchmarks maximizing overall AUC and minimizing bias between groups.

Inductive logic programming is a form of machine learning based on mathematical logic that generates logic programs from given examples and background knowledge. In this project, we extend the Popper ILP system to make use of multi-task learning. We implement the state-of-the-art approach and several new strategies to improve search performance. Furthermore, we introduce constraint preservation, a technique that improves overall performance for all approaches. Constraint preservation allows the system to transfer knowledge between updates on the background knowledge set. Consequently, we reduce the amount of repeated work performed by the system. Additionally, constraint preservation allows us to transition from the current state-of-the-art iterative deepening search approach to a more efficient breadth first search approach. Finally, we experiment with curriculum learning techniques and show their potential benefit to the field.

Recently, the seminal algorithms AlphaGo and AlphaZero have started a new era in game learning and deep reinforcement learning. While the achievements of AlphaGo and AlphaZero - playing Go and other complex games at super human level - are truly impressive, these architectures have the drawback that they require high computational resources. Many researchers are looking for methods that are similar to AlphaZero, but have lower computational demands and are thus more easily reproducible. In this paper, we pick an important element of AlphaZero - the Monte Carlo Tree Search (MCTS) planning stage - and combine it with temporal difference (TD) learning agents. We wrap MCTS for the first time around TD n-tuple networks and we use this wrapping only at test time to create versatile agents that keep at the same time the computational demands low. We apply this new architecture to several complex games (Othello, ConnectFour, Rubik's Cube) and show the advantages achieved with this AlphaZero-inspired MCTS wrapper. In particular, we present results that this agent is the first one trained on standard hardware (no GPU or TPU) to beat the very strong Othello program Edax up to and including level 7 (where most other learning-from-scratch algorithms could only defeat Edax up to level 2).

Gaussian Mixture Models are a powerful tool in Data Science and Statistics that are mainly used for clustering and density approximation. The task of estimating the model parameters is in practice often solved by the Expectation Maximization (EM) algorithm which has its benefits in its simplicity and low per-iteration costs. However, the EM converges slowly if there is a large share of hidden information or overlapping clusters. Recent advances in manifold optimization for Gaussian Mixture Models have gained increasing interest. We introduce an explicit formula for the Riemannian Hessian for Gaussian Mixture Models. On top, we propose a new Riemannian Newton Trust-Region method which outperforms current approaches both in terms of runtime and number of iterations. We apply our method on clustering problems and density approximation tasks. Our method is very powerful for data with a large share of hidden information compared to existing methods.

In this paper we study the problem of learning a shallow artificial neural network that best fits a training data set. We study this problem in the over-parameterized regime where the number of observations are fewer than the number of parameters in the model. We show that with quadratic activations the optimization landscape of training such shallow neural networks has certain favorable characteristics that allow globally optimal models to be found efficiently using a variety of local search heuristics. This result holds for an arbitrary training data of input/output pairs. For differentiable activation functions we also show that gradient descent, when suitably initialized, converges at a linear rate to a globally optimal model. This result focuses on a realizable model where the inputs are chosen i.i.d. from a Gaussian distribution and the labels are generated according to planted weight coefficients.

Federated Learning is a recent approach to train statistical models on distributed datasets without violating privacy constraints. The data locality principle is preserved by sharing the model instead of the data between clients and the server. This brings many advantages but also poses new challenges. In this report, we explore this new research area and perform several experiments to deepen our understanding of what these challenges are and how different problem settings affect the performance of the final model. Finally, we present a novel approach to one of these challenges and compare it to other methods found in literature.

In this paper, we hypothesize that internal function sharing is one of the reasons to weaken o.o.d. or systematic generalization in deep learning for classification tasks. Under equivalent prediction, a model partitions an input space into multiple parts separated by boundaries. The function sharing prefers to reuse boundaries, leading to fewer parts for new outputs, which conflicts with systematic generalization. We show such phenomena in standard deep learning models, such as fully connected, convolutional, residual networks, LSTMs, and (Vision) Transformers. We hope this study provides novel insights into systematic generalization and forms a basis for new research directions.

We present a machine learning framework that blends image super-resolution technologies with passive, scalar transport in the level-set method. Here, we investigate whether we can compute on-the-fly, data-driven corrections to minimize numerical viscosity in the coarse-mesh evolution of an interface. The proposed system's starting point is the semi-Lagrangian formulation. And, to reduce numerical dissipation, we introduce an error-quantifying multilayer perceptron. The role of this neural network is to improve the numerically estimated surface trajectory. To do so, it processes localized level-set, velocity, and positional data in a single time frame for select vertices near the moving front. Our main contribution is thus a novel machine-learning-augmented transport algorithm that operates alongside selective redistancing and alternates with conventional advection to keep the adjusted interface trajectory smooth. Consequently, our procedure is more efficient than full-scan convolutional-based applications because it concentrates computational effort only around the free boundary. Also, we show through various tests that our strategy is effective at counteracting both numerical diffusion and mass loss. In simple advection problems, for example, our method can achieve the same precision as the baseline scheme at twice the resolution but at a fraction of the cost. Similarly, our hybrid technique can produce feasible solidification fronts for crystallization processes. On the other hand, tangential shear flows and highly deforming simulations can precipitate bias artifacts and inference deterioration. Likewise, stringent design velocity constraints can limit our solver's application to problems involving rapid interface changes. In the latter cases, we have identified several opportunities to enhance robustness without forgoing our approach's basic concept.

Visual counterfeits are increasingly causing an existential conundrum in mainstream media with rapid evolution in neural image synthesis methods. Though detection of such counterfeits has been a taxing problem in the image forensics community, a recent class of forensic detectors -- universal detectors -- are able to surprisingly spot counterfeit images regardless of generator architectures, loss functions, training datasets, and resolutions. This intriguing property suggests the possible existence of transferable forensic features (T-FF) in universal detectors. In this work, we conduct the first analytical study to discover and understand T-FF in universal detectors. Our contributions are 2-fold: 1) We propose a novel forensic feature relevance statistic (FF-RS) to quantify and discover T-FF in universal detectors and, 2) Our qualitative and quantitative investigations uncover an unexpected finding: color is a critical T-FF in universal detectors. Code and models are available at https://keshik6.github.io/transferable-forensic-features/

Regression branch of Machine Learning purely focuses on prediction of continuous values. The supervised learning branch has many regression based methods with parametric and non-parametric learning models. In this paper we aim to target a very subtle point related to distance based regression model. The distance based model used is K-Nearest Neighbors Regressor which is a supervised non-parametric method. The point that we want to prove is the effect of k parameter of the model and its fluctuations affecting the metrics. The metrics that we use are Root Mean Squared Error and R-Squared Goodness of Fit with their visual representation of values with respect to k values.

Asynchronous Time Series is a multivariate time series where all the channels are observed asynchronously-independently, making the time series extremely sparse when aligning them. We often observe this effect in applications with complex observation processes, such as health care, climate science, and astronomy, to name a few. Because of the asynchronous nature, they pose a significant challenge to deep learning architectures, which presume that the time series presented to them are regularly sampled, fully observed, and aligned with respect to time. This paper proposes a novel framework, that we call Deep Convolutional Set Functions (DCSF), which is highly scalable and memory efficient, for the asynchronous time series classification task. With the recent advancements in deep set learning architectures, we introduce a model that is invariant to the order in which time series' channels are presented to it. We explore convolutional neural networks, which are well researched for the closely related problem-classification of regularly sampled and fully observed time series, for encoding the set elements. We evaluate DCSF for AsTS classification, and online (per time point) AsTS classification. Our extensive experiments on multiple real-world and synthetic datasets verify that the suggested model performs substantially better than a range of state-of-the-art models in terms of accuracy and run time.

Richtmyer-Meshkov Instability (RMI) is a complicated phenomenon that occurs when a shockwave passes through a perturbed interface. Over a thousand hydrodynamic simulations were performed to study the formation of RMI for a parameterized high velocity impact. Deep learning was used to learn the temporal mapping of initial geometric perturbations to the full-field hydrodynamic solutions of density and velocity. The continuity equation was used to include physical information into the loss function, however only resulted in very minor improvements at the cost of additional training complexity. Predictions from the deep learning model appear to accurately capture temporal RMI formations for a variety of geometric conditions within the domain. First principle physical laws were investigated to infer the accuracy of the model's predictive capability. While the continuity equation appeared to show no correlation with the accuracy of the model, conservation of mass and momentum were weakly correlated with accuracy. Since conservation laws can be quickly calculated from the deep learning model, they may be useful in applications where a relative accuracy measure is needed.

ImageNet-1k is a dataset often used for benchmarking machine learning (ML) models and evaluating tasks such as image recognition and object detection. Wild animals make up 27% of ImageNet-1k but, unlike classes representing people and objects, these data have not been closely scrutinized. In the current paper, we analyze the 13,450 images from 269 classes that represent wild animals in the ImageNet-1k validation set, with the participation of expert ecologists. We find that many of the classes are ill-defined or overlapping, and that 12% of the images are incorrectly labeled, with some classes having >90% of images incorrect. We also find that both the wildlife-related labels and images included in ImageNet-1k present significant geographical and cultural biases, as well as ambiguities such as artificial animals, multiple species in the same image, or the presence of humans. Our findings highlight serious issues with the extensive use of this dataset for evaluating ML systems, the use of such algorithms in wildlife-related tasks, and more broadly the ways in which ML datasets are commonly created and curated.

There are several types of graphs according to the nature of the data. Directed graphs have directions of links, and signed graphs have link types such as positive and negative. Signed directed graphs are the most complex and informative that have both. Graph convolutions for signed directed graphs have not been delivered much yet. Though many graph convolution studies have been provided, most are designed for undirected or unsigned. In this paper, we investigate a spectral graph convolution network for signed directed graphs. We propose a novel complex Hermitian adjacency matrix that encodes graph information via complex numbers. The complex numbers represent link direction, sign, and connectivity via the phases and magnitudes. Then, we define a magnetic Laplacian with the Hermitian matrix and prove its positive semidefinite property. Finally, we introduce Signed Directed Graph Convolution Network(SD-GCN). To the best of our knowledge, it is the first spectral convolution for graphs with signs. Moreover, unlike the existing convolutions designed for a specific graph type, the proposed model has generality that can be applied to any graphs, including undirected, directed, or signed. The performance of the proposed model was evaluated with four real-world graphs. It outperforms all the other state-of-the-art graph convolutions in the task of link sign prediction.

Split computing has emerged as a recent paradigm for implementation of DNN-based AI workloads, wherein a DNN model is split into two parts, one of which is executed on a mobile/client device and the other on an edge-server (or cloud). Data compression is applied to the intermediate tensor from the DNN that needs to be transmitted, addressing the challenge of optimizing the rate-accuracy-complexity trade-off. Existing split-computing approaches adopt ML-based data compression, but require that the parameters of either the entire DNN model, or a significant portion of it, be retrained for different compression levels. This incurs a high computational and storage burden: training a full DNN model from scratch is computationally demanding, maintaining multiple copies of the DNN parameters increases storage requirements, and switching the full set of weights during inference increases memory bandwidth. In this paper, we present an approach that addresses all these challenges. It involves the systematic design and training of bottleneck units - simple, low-cost neural networks - that can be inserted at the point of split. Our approach is remarkably lightweight, both during training and inference, highly effective and achieves excellent rate-distortion performance at a small fraction of the compute and storage overhead compared to existing methods.

Machine learning (ML) methods can effectively analyse data, recognize patterns in them, and make high-quality predictions. Good predictions usually come along with "black-box" models that are unable to present the detected patterns in a human-readable way. Technical developments recently led to eXplainable Artificial Intelligence (XAI) techniques that aim to open such black-boxes and enable humans to gain new insights from detected patterns. We investigated the application of XAI in an area where specific insights can have a significant effect on consumer behaviour, namely electricity use. Knowing that specific feedback on individuals' electricity consumption triggers resource conservation, we created five visualizations with ML and XAI methods from electricity consumption time series for highly personalized feedback, considering existing domain-specific design knowledge. Our experimental evaluation with 152 participants showed that humans can assimilate the pattern displayed by XAI visualizations, but such visualizations should follow known visualization patterns to be well-understood by users.

Meta-learning is a line of research that develops the ability to leverage past experiences to efficiently solve new learning problems. Meta-Reinforcement Learning (meta-RL) methods demonstrate a capability to learn behaviors that efficiently acquire and exploit information in several meta-RL problems. In this context, the Alchemy benchmark has been proposed by Wang et al. [2021]. Alchemy features a rich structured latent space that is challenging for state-of-the-art model-free RL methods. These methods fail to learn to properly explore then exploit. We develop a model-based algorithm. We train a model whose principal block is a Transformer Encoder to fit the symbolic Alchemy environment dynamics. Then we define an online planner with the learned model using a tree search method. This algorithm significantly outperforms previously applied model-free RL methods on the symbolic Alchemy problem. Our results reveal the relevance of model-based approaches with online planning to perform exploration and exploitation successfully in meta-RL. Moreover, we show the efficiency of the Transformer architecture to learn complex dynamics that arise from latent spaces present in meta-RL problems.

In this paper, we focus on the generation of time-series data using neural networks. It is often the case that input time-series data have only one realized (and usually irregularly sampled) path, which makes it difficult to extract time-series characteristics, and its noise structure is more complicated than i.i.d. type. Time series data, especially from hydrology, telecommunications, economics, and finance, exhibit long-term memory also called long-range dependency (LRD). The main purpose of this paper is to artificially generate time series with the help of neural networks, making the LRD of paths into account. We propose fSDE-Net: neural fractional Stochastic Differential Equation Network. It generalizes the neural stochastic differential equation model by using fractional Brownian motion with a Hurst index larger than half, which exhibits the LRD property. We derive the solver of fSDE-Net and theoretically analyze the existence and uniqueness of the solution to fSDE-Net. Our experiments with artificial and real time-series data demonstrate that the fSDE-Net model can replicate distributional properties well.

We consider an online estimation problem involving a set of agents. Each agent has access to a (personal) process that generates samples from a real-valued distribution and seeks to estimate its mean. We study the case where some of the distributions have the same mean, and the agents are allowed to actively query information from other agents. The goal is to design an algorithm that enables each agent to improve its mean estimate thanks to communication with other agents. The means as well as the number of distributions with same mean are unknown, which makes the task nontrivial. We introduce a novel collaborative strategy to solve this online personalized mean estimation problem. We analyze its time complexity and introduce variants that enjoy good performance in numerical experiments. We also extend our approach to the setting where clusters of agents with similar means seek to estimate the mean of their cluster.

Recently, efforts have been made to standardize signal phase and timing (SPaT) messages. These messages contain signal phase timings of all signalized intersection approaches. This information can thus be used for efficient motion planning, resulting in more homogeneous traffic flows and uniform speed profiles. Despite efforts to provide robust predictions for semi-actuated signal control systems, predicting signal phase timings for fully-actuated controls remains challenging. This paper proposes a time series prediction framework using aggregated traffic signal and loop detector data. We utilize state-of-the-art machine learning models to predict future signal phases' duration. The performance of a Linear Regression (LR), a Random Forest (RF), and a Long-Short-Term-Memory (LSTM) neural network are assessed against a naive baseline model. Results based on an empirical data set from a fully-actuated signal control system in Zurich, Switzerland, show that machine learning models outperform conventional prediction methods. Furthermore, tree-based decision models such as the RF perform best with an accuracy that meets requirements for practical applications.

We propose organisation conditions that yield a method for training SOM with adaptative neighborhood radius in a variational Bayesian framework. This method is validated on a non-stationary setting and compared in an high-dimensional setting with an other adaptative method.

Multi-scale features have been proven highly effective for object detection, and most ConvNet-based object detectors adopt Feature Pyramid Network (FPN) as a basic component for exploiting multi-scale features. However, for the recently proposed Transformer-based object detectors, directly incorporating multi-scale features leads to prohibitive computational overhead due to the high complexity of the attention mechanism for processing high-resolution features. This paper presents Iterative Multi-scale Feature Aggregation (IMFA) -- a generic paradigm that enables the efficient use of multi-scale features in Transformer-based object detectors. The core idea is to exploit sparse multi-scale features from just a few crucial locations, and it is achieved with two novel designs. First, IMFA rearranges the Transformer encoder-decoder pipeline so that the encoded features can be iteratively updated based on the detection predictions. Second, IMFA sparsely samples scale-adaptive features for refined detection from just a few keypoint locations under the guidance of prior detection predictions. As a result, the sampled multi-scale features are sparse yet still highly beneficial for object detection. Extensive experiments show that the proposed IMFA boosts the performance of multiple Transformer-based object detectors significantly yet with slight computational overhead. Project page: https://github.com/ZhangGongjie/IMFA.

Adverse Childhood Experiences (ACEs) are defined as a collection of highly stressful, and potentially traumatic, events or circumstances that occur throughout childhood and/or adolescence. They have been shown to be associated with increased risks of mental health diseases or other abnormal behaviours in later lives. However, the identification of ACEs from free-text Electronic Health Records (EHRs) with Natural Language Processing (NLP) is challenging because (a) there is no NLP ready ACE ontologies; (b) there are limited cases available for machine learning, necessitating the data annotation from clinical experts. We are currently developing a tool that would use NLP techniques to assist us in surfacing ACEs from clinical notes. This will enable us further research in identifying evidence of the relationship between ACEs and the subsequent developments of mental illness (e.g., addictions) in large-scale and longitudinal free-text EHRs, which has previously not been possible.

The advance of Machine Learning (ML) has led to a strong interest in this technology to support decision making. While complex ML models provide predictions that are often more accurate than those of traditional tools, such models often hide the reasoning behind the prediction from their users, which can lead to lower adoption and lack of insight. Motivated by this tension, research has put forth Explainable Artificial Intelligence (XAI) techniques that uncover patterns discovered by ML. Despite the high hopes in both ML and XAI, there is little empirical evidence of the benefits to traditional businesses. To this end, we analyze data on 220,185 customers of an energy retailer, predict cross-purchases with up to 86% correctness (AUC), and show that the XAI method SHAP provides explanations that hold for actual buyers. We further outline implications for research in information systems, XAI, and relationship marketing.

Standard machine learning models for tagging and classifying acoustic signals cannot handle classes that were not seen during training. Zero-Shot (ZS) learning overcomes this restriction by predicting classes based on adaptable class descriptions. This study sets out to investigate the effectiveness of self-attention-based audio embedding architectures for ZS learning. To this end, we compare the very recent patchout spectrogram transformer with two classic convolutional architectures. We evaluate these three architectures on three tasks and on three different benchmark datasets: general-purpose tagging on AudioSet, environmental sound classification on ESC-50, and instrument tagging on OpenMIC. Our results show that the self-attention-based embedding methods outperform both compared convolutional architectures in all of these settings. By designing training and test data accordingly, we observe that prediction performance suffers significantly when the `semantic distance' between training and new test classes is large, an effect that will deserve more detailed investigations.

Existing works on anomaly detection (AD) rely on clean labels from human annotators that are expensive to acquire in practice. In this work, we propose a method to leverage weak/noisy labels (e.g., risk scores generated by machine rules for detecting malware) that are cheaper to obtain for anomaly detection. Specifically, we propose ADMoE, the first framework for anomaly detection algorithms to learn from noisy labels. In a nutshell, ADMoE leverages mixture-of-experts (MoE) architecture to encourage specialized and scalable learning from multiple noisy sources. It captures the similarities among noisy labels by sharing most model parameters, while encouraging specialization by building "expert" sub-networks. To further juice out the signals from noisy labels, ADMoE uses them as input features to facilitate expert learning. Extensive results on eight datasets (including a proprietary enterprise security dataset) demonstrate the effectiveness of ADMoE, where it brings up to 34% performance improvement over not using it. Also, it outperforms a total of 13 leading baselines with equivalent network parameters and FLOPS. Notably, ADMoE is model-agnostic to enable any neural network-based detection methods to handle noisy labels, where we showcase its results on both multiple-layer perceptron (MLP) and the leading AD method DeepSAD.

Drop-on-demand (DOD) inkjet printing has been considered as one of promising technologies for the fabrication of advanced functional materials. For a DOD printer, high-precision dispensing techniques for achieving satellite-free smaller droplets, have long been desired for patterning thin-film structures. The present study considers the inlet velocity of a liquid chamber located upstream of a dispensing nozzle as a control variable and aims to optimize its waveform using a sample-efficient Bayesian optimization algorithm. Firstly, the droplet dispensing dynamics are numerically reproduced by using an open-source OpenFOAM solver, interFoam, and the results are passed on to another code based on pyFoam. Then, the parameters characterizing the actuation waveform driving a DOD printer are determined by the Bayesian optimization (BO) algorithm so as to maximize a prescribed multi-objective function expressed as the sum of two factors, i.e., the size of a primary droplet and the presence of satellite droplets. The results show that the present BO algorithm can successfully find high-precision dispensing waveforms within 150 simulations. Specifically, satellite droplets can be effectively eliminated and the droplet diameter can be significantly reduced to 24.9% of the nozzle diameter by applying the optimal waveform.

Discrimination has been shown in many machine learning applications, which calls for sufficient fairness testing before their deployment in ethic-relevant domains such as face recognition, medical diagnosis and criminal sentence. Existing fairness testing approaches are mostly designed for identifying individual discrimination, i.e., discrimination against individuals. Yet, as another widely concerning type of discrimination, testing against group discrimination, mostly hidden, is much less studied. To address the gap, in this work, we propose TESTSGD, an interpretable testing approach which systematically identifies and measures hidden (which we call `subtle' group discrimination} of a neural network characterized by conditions over combinations of the sensitive features. Specifically, given a neural network, TESTSGDfirst automatically generates an interpretable rule set which categorizes the input space into two groups exposing the model's group discrimination. Alongside, TESTSGDalso provides an estimated group fairness score based on sampling the input space to measure the degree of the identified subtle group discrimination, which is guaranteed to be accurate up to an error bound. We evaluate TESTSGDon multiple neural network models trained on popular datasets including both structured data and text data. The experiment results show that TESTSGDis effective and efficient in identifying and measuring such subtle group discrimination that has never been revealed before. Furthermore, we show that the testing results of TESTSGDcan guide generation of new samples to mitigate such discrimination through retraining with negligible accuracy drop.

The Weber Fechner Law of psychophysics observes that human perception is logarithmic in the stimulus. We present an algorithm for incorporating the Weber Fechner law into loss functions for machine learning, and use the algorithm to enhance the performance of deep learning networks.

Although quantum supremacy is yet to come, there has recently been an increasing interest in identifying the potential of quantum machine learning (QML) in the looming era of practical quantum computing. Motivated by this, in this article we re-design multi-agent reinforcement learning (MARL) based on the unique characteristics of quantum neural networks (QNNs) having two separate dimensions of trainable parameters: angle parameters affecting the output qubit states, and pole parameters associated with the output measurement basis. Exploiting this dyadic trainability as meta-learning capability, we propose quantum meta MARL (QM2ARL) that first applies angle training for meta-QNN learning, followed by pole training for few-shot or local-QNN training. To avoid overfitting, we develop an angle-to-pole regularization technique injecting noise into the pole domain during angle training. Furthermore, by exploiting the pole as the memory address of each trained QNN, we introduce the concept of pole memory allowing one to save and load trained QNNs using only two-parameter pole values. We theoretically prove the convergence of angle training under the angle-to-pole regularization, and by simulation corroborate the effectiveness of QM2ARL in achieving high reward and fast convergence, as well as of the pole memory in fast adaptation to a time-varying environment.

Object detection for street-level objects can be applied to various use cases, from car and traffic detection to the self-driving car system. Therefore, finding the best object detection algorithm is essential to apply it effectively. Many object detection algorithms have been released, and many have compared object detection algorithms, but few have compared the latest algorithms, such as YOLOv5, primarily which focus on street-level objects. This paper compares various one-stage detector algorithms; SSD MobileNetv2 FPN-lite 320x320, YOLOv3, YOLOv4, YOLOv5l, and YOLOv5s for street-level object detection within real-time images. The experiment utilizes a modified Udacity Self Driving Car Dataset with 3,169 images. Dataset is split into train, validation, and test; Then, it is preprocessed and augmented using rescaling, hue shifting, and noise. Each algorithm is then trained and evaluated. Based on the experiments, the algorithms have produced decent results according to the inference time and the values of their precision, recall, F1-Score, and Mean Average Precision (mAP). The results also shows that YOLOv5l outperforms the other algorithms in terms of accuracy with a mAP@.5 of 0.593, MobileNetv2 FPN-lite has the fastest inference time among the others with only 3.20ms inference time. It is also found that YOLOv5s is the most efficient, with it having a YOLOv5l accuracy and a speed almost as quick as the MobileNetv2 FPN-lite. This shows that various algorithm are suitable for street-level object detection and viable enough to be used in self-driving car.

The matrix completion problem seeks to recover a $d\times d$ ground truth matrix of low rank $r\ll d$ from observations of its individual elements. Real-world matrix completion is often a huge-scale optimization problem, with $d$ so large that even the simplest full-dimension vector operations with $O(d)$ time complexity become prohibitively expensive. Stochastic gradient descent (SGD) is one of the few algorithms capable of solving matrix completion on a huge scale, and can also naturally handle streaming data over an evolving ground truth. Unfortunately, SGD experiences a dramatic slow-down when the underlying ground truth is ill-conditioned; it requires at least $O(\kappa\log(1/\epsilon))$ iterations to get $\epsilon$-close to ground truth matrix with condition number $\kappa$. In this paper, we propose a preconditioned version of SGD that preserves all the favorable practical qualities of SGD for huge-scale online optimization while also making it agnostic to $\kappa$. For a symmetric ground truth and the Root Mean Square Error (RMSE) loss, we prove that the preconditioned SGD converges to $\epsilon$-accuracy in $O(\log(1/\epsilon))$ iterations, with a rapid linear convergence rate as if the ground truth were perfectly conditioned with $\kappa=1$. In our numerical experiments, we observe a similar acceleration for ill-conditioned matrix completion under the 1-bit cross-entropy loss, as well as pairwise losses such as the Bayesian Personalized Ranking (BPR) loss.

State-of-the-art deep learning models are often trained with a large amount of costly labeled training data. However, requiring exhaustive manual annotations may degrade the model's generalizability in the limited-label regime. Semi-supervised learning and unsupervised learning offer promising paradigms to learn from an abundance of unlabeled visual data. Recent progress in these paradigms has indicated the strong benefits of leveraging unlabeled data to improve model generalization and provide better model initialization. In this survey, we review the recent advanced deep learning algorithms on semi-supervised learning (SSL) and unsupervised learning (UL) for visual recognition from a unified perspective. To offer a holistic understanding of the state-of-the-art in these areas, we propose a unified taxonomy. We categorize existing representative SSL and UL with comprehensive and insightful analysis to highlight their design rationales in different learning scenarios and applications in different computer vision tasks. Lastly, we discuss the emerging trends and open challenges in SSL and UL to shed light on future critical research directions.

In this paper we experiment with using neural network structures to predict a protein's secondary structure ({\alpha} helix positions) from only its primary structure (amino acid sequence). We implement a fully connected neural network (FCNN) and preform three experiments using that FCNN. Firstly, we do a cross-species comparison of models trained and tested on mouse and human datasets. Secondly, we test the impact of varying the length of protein sequence we input into the model. Thirdly, we compare custom error functions designed to focus on the center of the input window. At the end of paper we propose a alternative, recurrent neural network model which can be applied to the problem.

Comments are an important part of the source code and are a primary source of documentation. This has driven interest in using large bodies of comments to train or evaluate tools that consume or produce them -- such as generating oracles or even code from comments, or automatically generating code summaries. Most of this work makes strong assumptions about the structure and quality of comments, such as assuming they consist mostly of proper English sentences. However, we know little about the actual quality of existing comments for these use cases. Comments often contain unique structures and elements that are not seen in other types of text, and filtering or extracting information from them requires some extra care. This paper explores the contents and quality of Python comments drawn from 840 most popular open source projects from GitHub and 8422 projects from SriLab dataset, and the impact of na\"ive vs. in-depth filtering can have on the use of existing comments for training and evaluation of systems that generate comments.

Precipitation forecasting is an important scientific challenge that has wide-reaching impacts on society. Historically, this challenge has been tackled using numerical weather prediction (NWP) models, grounded on physics-based simulations. Recently, many works have proposed an alternative approach, using end-to-end deep learning (DL) models to replace physics-based NWP models. While these DL methods show improved performance and computational efficiency, they exhibit limitations in long-term forecasting and lack the explainability. In this work, we present a hybrid NWP-DL workflow to fill the gap between standalone NWP and DL approaches. Under this workflow, the outputs of NWP models are fed into a deep neural network, which post-processes the data to yield a refined precipitation forecast. The deep model is trained with supervision, using Automatic Weather Station (AWS) observations as ground-truth labels. This can achieve the best of both worlds, and can even benefit from future improvements in NWP technology. To facilitate study in this direction, we present a novel dataset focused on the Korean Peninsula, termed KoMet (Korea Meteorological Dataset), comprised of NWP outputs and AWS observations. For the NWP model, the Global Data Assimilation and Prediction Systems-Korea Integrated Model (GDAPS-KIM) is utilized. We provide analysis on a comprehensive set of baseline methods aimed at addressing the challenges of KoMet, including the sparsity of AWS observations and class imbalance. To lower the barrier to entry and encourage further study, we also provide an extensive open-source Python package for data processing and model development. Our benchmark data and code are available at https://github.com/osilab-kaist/KoMet-Benchmark-Dataset.

The method of choice for integrating the time-dependent Fokker-Planck equation in high-dimension is to generate samples from the solution via integration of the associated stochastic differential equation. Here, we introduce an alternative scheme based on integrating an ordinary differential equation that describes the flow of probability. Unlike the stochastic dynamics, this equation deterministically pushes samples from the initial density onto samples from the solution at any later time. The method has the advantage of giving direct access to quantities that are challenging to estimate from stochastic trajectories, such as the probability current, the density itself, and its entropy. The probability flow equation depends on the gradient of the logarithm of the solution (its "score"), and so is a-priori unknown. To resolve this dependence, we model the score with a deep neural network that is learned on-the-fly by propagating a set of samples according to the instantaneous probability current. Our approach is based on recent advances in score-based diffusion for generative modeling, but the training procedure is self-contained and does not require samples from the target density to be available beforehand. To demonstrate the validity of the approach, we consider several examples from the physics of interacting particle systems; we find that the method scales well to high-dimensional systems and accurately matches available analytical solutions and moments computed via Monte-Carlo.

The recent focus on the efficiency of deep neural networks (DNNs) has led to significant work on model compression approaches, of which weight pruning is one of the most popular. At the same time, there is rapidly-growing computational support for efficiently executing the unstructured-sparse models obtained via pruning. Yet, most existing pruning methods minimize just the number of remaining weights, i.e. the size of the model, rather than optimizing for inference time. We address this gap by introducing SPDY, a new compression method which automatically determines layer-wise sparsity targets achieving a desired inference speedup on a given system, while minimizing accuracy loss. SPDY is composed of two new techniques: the first is an efficient dynamic programming algorithm for solving the speedup-constrained layer-wise compression problem assuming a set of given layer-wise sensitivity scores; the second is a local search procedure for determining accurate layer-wise sensitivity scores. Experiments across popular vision and language models show that SPDY guarantees speedups while recovering higher accuracy relative to existing strategies, both for one-shot and gradual pruning scenarios, and is compatible with most existing pruning approaches. We also extend our approach to the recently-proposed task of pruning with very little data, where we achieve the best known accuracy recovery when pruning to the GPU-supported 2:4 sparsity pattern.

We present a family of novel methods for embedding knowledge graphs into real-valued tensors. These tensor-based embeddings capture the ordered relations that are typical in the knowledge graphs represented by semantic web languages like RDF. Unlike many previous models, our methods can easily use prior background knowledge provided by users or extracted automatically from existing knowledge graphs. In addition to providing more robust methods for knowledge graph embedding, we provide a provably-convergent, linear tensor factorization algorithm. We demonstrate the efficacy of our models for the task of predicting new facts across eight different knowledge graphs, achieving between 5% and 50% relative improvement over existing state-of-the-art knowledge graph embedding techniques. Our empirical evaluation shows that all of the tensor decomposition models perform well when the average degree of an entity in a graph is high, with constraint-based models doing better on graphs with a small number of highly similar relations and regularization-based models dominating for graphs with relations of varying degrees of similarity.

Suppose we are given a system of coupled oscillators on an unknown graph along with the trajectory of the system during some period. Can we predict whether the system will eventually synchronize? Even with a known underlying graph structure, this is an important yet analytically intractable question in general. In this work, we take an alternative approach to the synchronization prediction problem by viewing it as a classification problem based on the fact that any given system will eventually synchronize or converge to a non-synchronizing limit cycle. By only using some basic statistics of the underlying graphs such as edge density and diameter, our method can achieve perfect accuracy when there is a significant difference in the topology of the underlying graphs between the synchronizing and the non-synchronizing examples. However, in the problem setting where these graph statistics cannot distinguish the two classes very well (e.g., when the graphs are generated from the same random graph model), we find that pairing a few iterations of the initial dynamics along with the graph statistics as the input to our classification algorithms can lead to significant improvement in accuracy; far exceeding what is known by the classical oscillator theory. More surprisingly, we find that in almost all such settings, dropping out the basic graph statistics and training our algorithms with only initial dynamics achieves nearly the same accuracy. We demonstrate our method on three models of continuous and discrete coupled oscillators -- the Kuramoto model, Firefly Cellular Automata, and Greenberg-Hastings model. Finally, we also propose an "ensemble prediction" algorithm that successfully scales our method to large graphs by training on dynamics observed from multiple random subgraphs.

Herein we describe our approach to artificial intelligence research, which we call the Alberta Plan. The Alberta Plan is pursued within our research groups in Alberta and by others who are like minded throughout the world. We welcome all who would join us in this pursuit.

Running deep neural networks (DNNs) on tiny Micro-controller Units (MCUs) is challenging due to their limitations in computing, memory, and storage capacity. Fortunately, recent advances in both MCU hardware and machine learning software frameworks make it possible to run fairly complex neural networks on modern MCUs, resulting in a new field of study widely known as TinyML. However, there have been few studies to show the potential for TinyML applications in cyber physical systems (CPS). In this paper, we present DeepPicarMicro, a small self-driving RC car testbed, which runs a convolutional neural network (CNN) on a Raspberry Pi Pico MCU. We apply a state-of-the-art DNN optimization to successfully fit the well-known PilotNet CNN architecture, which was used to drive NVIDIA's real self-driving car, on the MCU. We apply a state-of-art network architecture search (NAS) approach to find further optimized networks that can effectively control the car in real-time in an end-to-end manner. From an extensive systematic experimental evaluation study, we observe an interesting relationship between the accuracy, latency, and control performance of a system. From this, we propose a joint optimization strategy that takes both accuracy and latency of a model in the network architecture search process for AI enabled CPS.

Generalized Linear Models (GLM) form a wide class of regression and classification models, where prediction is a function of a linear combination of the input variables. For statistical inference in high dimension, sparsity inducing regularizations have proven to be useful while offering statistical guarantees. However, solving the resulting optimization problems can be challenging: even for popular iterative algorithms such as coordinate descent, one needs to loop over a large number of variables. To mitigate this, techniques known as screening rules and working sets diminish the size of the optimization problem at hand, either by progressively removing variables, or by solving a growing sequence of smaller problems. For both techniques, significant variables are identified thanks to convex duality arguments. In this paper, we show that the dual iterates of a GLM exhibit a Vector AutoRegressive (VAR) behavior after sign identification, when the primal problem is solved with proximal gradient descent or cyclic coordinate descent. Exploiting this regularity, one can construct dual points that offer tighter certificates of optimality, enhancing the performance of screening rules and helping to design competitive working set algorithms.

Anomalies (or outliers) are prevalent in real-world empirical observations and potentially mask important underlying structures. Accurate identification of anomalous samples is crucial for the success of downstream data analysis tasks. To automatically identify anomalies, we propose Probabilistic Robust AutoEncoder (PRAE). PRAE aims to simultaneously remove outliers and identify a low-dimensional representation for the inlier samples. We first present the Robust AutoEncoder (RAE) objective as a minimization problem for splitting the data into inliers and outliers. Our objective is designed to exclude outliers while including a subset of samples (inliers) that can be effectively reconstructed using an AutoEncoder (AE). RAE minimizes the autoencoder's reconstruction error while incorporating as many samples as possible. This could be formulated via regularization by subtracting an $\ell_0$ norm counting the number of selected samples from the reconstruction term. Unfortunately, this leads to an intractable combinatorial problem. Therefore, we propose two probabilistic relaxations of RAE, which are differentiable and alleviate the need for a combinatorial search. We prove that the solution to the PRAE problem is equivalent to the solution of RAE. We use synthetic data to show that PRAE can accurately remove outliers in a wide range of contamination levels. Finally, we demonstrate that using PRAE for anomaly detection leads to state-of-the-art results on various benchmark datasets.

We state concentration and martingale inequalities for the output of the hidden layers of a stochastic deep neural network (SDNN), as well as for the output of the whole SDNN. These results allow us to introduce an expected classifier (EC), and to give probabilistic upper bound for the classification error of the EC. We also state the optimal number of layers for the SDNN via an optimal stopping procedure. We apply our analysis to a stochastic version of a feedforward neural network with ReLU activation function.

Turbulent flows are ubiquitous, and obtaining efficient, accurate and generalizable reduced order models remains a challenging problem. This manuscript develops a hierarchy of reduced Lagrangian models for turbulent flows in order to investigate and compare the effects of enforcing Smoothed Particle Hydrodynamics (SPH) structure versus embedding neural networks (NN)s within the Lagrangian framework as universal function approximators. SPH is a mesh-free Lagrangian methodology for approximating equations of fluid mechanics. Starting from Neural Network (NN) based parameterization of a Lagrangian acceleration operator, this hierarchy gradually incorporates a weakly compressible and parameterized SPH framework which enforces physical symmetries and conservation laws. Two new parameterized smoothing kernels are developed which are included within the fully parameterized SPH simulator and are compared to the cubic and quartic smoothing kernels. For each model we experiment with different loss functions which are minimized using gradient based optimization, where efficient computations of gradients are obtained by using Automatic Differentiation (AD) and Sensitivity Analysis (SA). Each model is trained on two Ground Truth (GT) data sets associated with weekly compressible Homogeneous Isotropic Turbulence (HIT), (1) a validation set using weakly compressible SPH, and (2) a high fidelity set from Direct Numerical Simulations (DNS). Numerical evidence shows: (a) validation of the methodology on "synthetic" SPH data; (b) the ability for NNs embedded within the SPH framework to approximate the equation of state; (b) each model is able to interpolate onto DNS data; (c) encoding more SPH structure improves generalizability to different turbulent Mach numbers and time scales; (d) the introduction of two novel parameterized smoothing kernels improves the accuracy of SPH over standard smoothing kernels.

We present a novel framework for specifying and verifying correctness globally for neural networks on perception tasks. Most previous works on neural network verification for perception tasks focus on robustness verification. Unlike robustness verification, which aims to verify that the prediction of a network is stable in some local regions around labelled points, our framework provides a way to specify correctness globally in the whole target input space and verify that the network is correct for all target inputs (or find the regions where the network is not correct). We provide a specification through 1) a state space consisting of all relevant states of the world and 2) an observation process that produces neural network inputs from the states of the world. Tiling the state and input spaces with a finite number of tiles, obtaining ground truth bounds from the state tiles and network output bounds from the input tiles, then comparing the ground truth and network output bounds delivers an upper bound on the network output error for any inputs of interest. The presented framework also enables detecting illegal inputs -- inputs that are not contained in (or close to) the target input space as defined by the state space and observation process (the neural network is not designed to work on them), so that we can flag when we don't have guarantees. Results from two case studies highlight the ability of our technique to verify error bounds over the whole target input space and show how the error bounds vary over the state and input spaces.

Federated learning has burgeoned recently in machine learning, giving rise to a variety of research topics. Popular optimization algorithms are based on the frameworks of the (stochastic) gradient descent methods or the alternating direction method of multipliers. In this paper, we deploy an exact penalty method to deal with federated learning and propose an algorithm, FedEPM, that enables to tackle four critical issues in federated learning: communication efficiency, computational complexity, stragglers' effect, and data privacy. Moreover, it is proven to be convergent and testified to have high numerical performance.

Active Learning (AL) is a well-known standard method for efficiently obtaining annotated data by first labeling the samples that contain the most information based on a query strategy. In the past, a large variety of such query strategies has been proposed, with each generation of new strategies increasing the runtime and adding more complexity. However, to the best of our our knowledge, none of these strategies excels consistently over a large number of datasets from different application domains. Basically, most of the the existing AL strategies are a combination of the two simple heuristics informativeness and representativeness, and the big differences lie in the combination of the often conflicting heuristics. Within this paper, we propose ImitAL, a domain-independent novel query strategy, which encodes AL as a learning-to-rank problem and learns an optimal combination between both heuristics. We train ImitAL on large-scale simulated AL runs on purely synthetic datasets. To show that ImitAL was successfully trained, we perform an extensive evaluation comparing our strategy on 13 different datasets, from a wide range of domains, with 7 other query strategies.

Entity alignment is a crucial task in knowledge graph fusion. However, most entity alignment approaches have the scalability problem. Recent methods address this issue by dividing large KGs into small blocks for embedding and alignment learning in each. However, such a partitioning and learning process results in an excessive loss of structure and alignment. Therefore, in this work, we propose a scalable GNN-based entity alignment approach to reduce the structure and alignment loss from three perspectives. First, we propose a centrality-based subgraph generation algorithm to recall some landmark entities serving as the bridges between different subgraphs. Second, we introduce self-supervised entity reconstruction to recover entity representations from incomplete neighborhood subgraphs, and design cross-subgraph negative sampling to incorporate entities from other subgraphs in alignment learning. Third, during the inference process, we merge the embeddings of subgraphs to make a single space for alignment search. Experimental results on the benchmark OpenEA dataset and the proposed large DBpedia1M dataset verify the effectiveness of our approach.

Deep neural networks can capture the intricate interaction history information between queries and documents, because of their many complicated nonlinear units, allowing them to provide correct search recommendations. However, service providers frequently face more complex obstacles in real-world circumstances, such as deployment cost constraints and fairness requirements. Knowledge distillation, which transfers the knowledge of a well-trained complex model (teacher) to a simple model (student), has been proposed to alleviate the former concern, but the best current distillation methods focus only on how to make the student model imitate the predictions of the teacher model. To better facilitate the application of deep models, we propose a fair information retrieval framework based on knowledge distillation. This framework can improve the exposure-based fairness of models while considerably decreasing model size. Our extensive experiments on three huge datasets show that our proposed framework can reduce the model size to a minimum of 1% of its original size while maintaining its black-box state. It also improves fairness performance by 15%~46% while keeping a high level of recommendation effectiveness.

Principal component analysis (PCA), a ubiquitous dimensionality reduction technique in signal processing, searches for a projection matrix that minimizes the mean squared error between the reduced dataset and the original one. Since classical PCA is not tailored to address concerns related to fairness, its application to actual problems may lead to disparity in the reconstruction errors of different groups (e.g., men and women, whites and blacks, etc.), with potentially harmful consequences such as the introduction of bias towards sensitive groups. Although several fair versions of PCA have been proposed recently, there still remains a fundamental gap in the search for algorithms that are simple enough to be deployed in real systems. To address this, we propose a novel PCA algorithm which tackles fairness issues by means of a simple strategy comprising a one-dimensional search which exploits the closed-form solution of PCA. As attested by numerical experiments, the proposal can significantly improve fairness with a very small loss in the overall reconstruction error and without resorting to complex optimization schemes. Moreover, our findings are consistent in several real situations as well as in scenarios with both unbalanced and balanced datasets.

We consider the problem of model compression for deep neural networks (DNNs) in the challenging post-training setting, in which we are given an accurate trained model, and must compress it without any retraining, based only on a small amount of calibration input data. This problem has become popular in view of the emerging software and hardware support for executing models compressed via pruning and/or quantization with speedup, and well-performing solutions have been proposed independently for both compression approaches. In this paper, we introduce a new compression framework which covers both weight pruning and quantization in a unified setting, is time- and space-efficient, and considerably improves upon the practical performance of existing post-training methods. At the technical level, our approach is based on the first exact and efficient realization of the classical Optimal Brain Surgeon (OBS) framework of [LeCun, Denker, and Solla, 1990] at the scale of modern DNNs, which we further extend to cover weight quantization. This is enabled by a series of algorithmic developments which may be of independent interest. From the practical perspective, our experimental results show that it can improve significantly upon the compression-accuracy trade-offs of existing post-training methods, and that it can even enable the accurate joint application of both pruning and quantization in a post-training setting.

The accurate forecasting of infectious epidemic diseases is the key to effective control of the epidemic situation in a region. Most existing methods ignore potential dynamic dependencies between regions or the importance of temporal dependencies and inter-dependencies between regions for prediction. In this paper, we propose an Inter- and Intra-Series Embeddings Fusion Network (SEFNet) to improve epidemic prediction performance. SEFNet consists of two parallel modules, named Inter-Series Embedding Module and Intra-Series Embedding Module. In Inter-Series Embedding Module, a multi-scale unified convolution component called Region-Aware Convolution is proposed, which cooperates with self-attention to capture dynamic dependencies between time series obtained from multiple regions. The Intra-Series Embedding Module uses Long Short-Term Memory to capture temporal relationships within each time series. Subsequently, we learn the influence degree of two embeddings and fuse them with the parametric-matrix fusion method. To further improve the robustness, SEFNet also integrates a traditional autoregressive component in parallel with nonlinear neural networks. Experiments on four real-world epidemic-related datasets show SEFNet is effective and outperforms state-of-the-art baselines.

Quick global aggregation of effective distributed parameters is crucial to federated learning (FL), which requires adequate bandwidth for parameters communication and sufficient user data for local training. Otherwise, FL may cost excessive training time for convergence and produce inaccurate models. In this paper, we propose a brand-new FL framework, PromptFL, that replaces the federated model training with the federated prompt training, i.e., let federated participants train prompts instead of a shared model, to simultaneously achieve the efficient global aggregation and local training on insufficient data by exploiting the power of foundation models (FM) in a distributed way. PromptFL ships an off-the-shelf FM, i.e., CLIP, to distributed clients who would cooperatively train shared soft prompts based on very few local data. Since PromptFL only needs to update the prompts instead of the whole model, both the local training and the global aggregation can be significantly accelerated. And FM trained over large scale data can provide strong adaptation capability to distributed users tasks with the trained soft prompts. We empirically analyze the PromptFL via extensive experiments, and show its superiority in terms of system feasibility, user privacy, and performance.

Video bronchoscopy is routinely conducted for biopsies of lung tissue suspected for cancer, monitoring of COPD patients and clarification of acute respiratory problems at intensive care units. The navigation within complex bronchial trees is particularly challenging and physically demanding, requiring long-term experiences of physicians. This paper addresses the automatic segmentation of bronchial orifices in bronchoscopy videos. Deep learning-based approaches to this task are currently hampered due to the lack of readily-available ground truth segmentation data. Thus, we present a data-driven pipeline consisting of a k-means followed by a compact marker-based watershed algorithm which enables to generate airway instance segmentation maps from given depth images. In this way, these traditional algorithms serve as weak supervision for training a shallow CNN directly on RGB images solely based on a phantom dataset. We evaluate generalization capabilities of this model on two in-vivo datasets covering 250 frames on 21 different bronchoscopies. We demonstrate that its performance is comparable to those models being directly trained on in-vivo data, reaching an average error of 11 vs 5 pixels for the detected centers of the airway segmentation by an image resolution of 128x128. Our quantitative and qualitative results indicate that in the context of video bronchoscopy, phantom data and weak supervision using non-learning-based approaches enable to gain a semantic understanding of airway structures.

The Mass Spectrometer and Incoherent Scatter radar (MSIS) model family has been developed and improved since the early 1970's. The most recent version of MSIS is the Naval Research Laboratory (NRL) MSIS 2.0 empirical atmospheric model. NRLMSIS 2.0 provides species density, mass density, and temperature estimates as function of location and space weather conditions. MSIS models have long been a popular choice of atmosphere model in the research and operations community alike, but - like many models - does not provide uncertainty estimates. In this work, we develop an exospheric temperature model based in machine learning (ML) that can be used with NRLMSIS 2.0 to calibrate it relative to high-fidelity satellite density estimates. Instead of providing point estimates, our model (called MSIS-UQ) outputs a distribution which is assessed using a metric called the calibration error score. We show that MSIS-UQ debiases NRLMSIS 2.0 resulting in reduced differences between model and satellite density of 25% and is 11% closer to satellite density than the Space Force's High Accuracy Satellite Drag Model. We also show the model's uncertainty estimation capabilities by generating altitude profiles for species density, mass density, and temperature. This explicitly demonstrates how exospheric temperature probabilities affect density and temperature profiles within NRLMSIS 2.0. Another study displays improved post-storm overcooling capabilities relative to NRLMSIS 2.0 alone, enhancing the phenomena that it can capture.

Recently, Electrical Distribution Systems are extensively penetrated with the Distributed Energy Resources (DERs) to cater the energy demands with general perception that it enhances the system resiliency. However, it may be adverse for the grid operation due to various factors like its intermittent availability, dynamics in weather condition, introduction of nonlinearity, complexity etc. This needs a detailed understanding of system resiliency that our method proposes here. We introduce a methodology using complex network theory to identify the resiliency of distribution system when incorporated with Solar PV generation under various undesirable configurations. Complex correlated networks for different conditions were obtained and various network parameters were computed for identifying the resiliency of those networks. The proposed methodology identifies the hosting capacity of solar panels in the system while maintaining the resiliency under different unwanted conditions hence helps to obtain an optimal allocation topology for solar panels in the system. The proposed method also identifies the critical nodes that are highly sensitive to the changes and could drive the system into non-resiliency. This framework was demonstrated on IEEE-123 Test Feeder system with time-series data generated using GridLAB-D and variety of analysis were performed using complex network and machine learning models.

Music mixing traditionally involves recording instruments in the form of clean, individual tracks and blending them into a final mixture using audio effects and expert knowledge (e.g., a mixing engineer). The automation of music production tasks has become an emerging field in recent years, where rule-based methods and machine learning approaches have been explored. Nevertheless, the lack of dry or clean instrument recordings limits the performance of such models, which is still far from professional human-made mixes. We explore whether we can use out-of-domain data such as wet or processed multitrack music recordings and repurpose it to train supervised deep learning models that can bridge the current gap in automatic mixing quality. To achieve this we propose a novel data preprocessing method that allows the models to perform automatic music mixing. We also redesigned a listening test method for evaluating music mixing systems. We validate our results through such subjective tests using highly experienced mixing engineers as participants.

A caveat to many applications of the current Deep Learning approach is the need for large-scale data. One improvement suggested by Kolmogorov Complexity results is to apply the minimum description length principle with computationally universal models. We study the potential gains in sample efficiency that this approach can bring in principle. We use polynomial-time Turing machines to represent computationally universal models and Boolean circuits to represent Artificial Neural Networks (ANNs) acting on finite-precision digits. Our analysis unravels direct links between our question and Computational Complexity results. We provide lower and upper bounds on the potential gains in sample efficiency between the MDL applied with Turing machines instead of ANNs. Our bounds depend on the bit-size of the input of the Boolean function to be learned. Furthermore, we highlight close relationships between classical open problems in Circuit Complexity and the tightness of these.

Neuro-Symbolic (NeSy) integration combines symbolic reasoning with Neural Networks (NNs) for tasks requiring perception and reasoning. Most NeSy systems rely on continuous relaxation of logical knowledge and no discrete decisions are made within the model pipeline. Furthermore, these methods assume that the symbolic rules are given. In this paper, we propose Deep Symbolic Learning (DSL), a NeSy system that learns NeSy-functions, i.e., the composition of a (set of) perception functions which map continuous data to discrete symbols, and a symbolic function over the set of symbols. DSL learns simultaneously the perception and symbolic functions, while being trained only on their composition (NeSy-function). The key novelty of DSL is that it can create internal (interpretable) symbolic representations and map them to perception inputs within a differentiable NN learning pipeline. The created symbols are automatically selected to generate symbolic functions that best explain the data. We provide experimental analysis to substantiate the efficacy of DSL in simultaneously learning perception and symbolic functions.

Humans apprehend the world through various sensory modalities, yet language is their predominant communication channel. Machine learning systems need to draw on the same multimodal richness to have informed discourses with humans in natural language; this is particularly true for systems specialized in visually-dense information, such as dialogue, recommendation, and search engines for clothing. To this end, we train a visual question answering (VQA) system to answer complex natural language questions about apparel in fashion photoshoot images. The key to the successful training of our VQA model is the automatic creation of a visual question-answering dataset with 168 million samples from item attributes of 207 thousand images using diverse templates. The sample generation employs a strategy that considers the difficulty of the question-answer pairs to emphasize challenging concepts. Contrary to the recent trends in using several datasets for pretraining the visual question answering models, we focused on keeping the dataset fixed while training various models from scratch to isolate the improvements from model architecture changes. We see that using the same transformer for encoding the question and decoding the answer, as in language models, achieves maximum accuracy, showing that visual language models (VLMs) make the best visual question answering systems for our dataset. The accuracy of the best model surpasses the human expert level, even when answering human-generated questions that are not confined to the template formats. Our approach for generating a large-scale multimodal domain-specific dataset provides a path for training specialized models capable of communicating in natural language. The training of such domain-expert models, e.g., our fashion VLM model, cannot rely solely on the large-scale general-purpose datasets collected from the web.

Relying on the fact that not all inputs require the same amount of computation to yield a confident prediction, multi-exit networks are gaining attention as a prominent approach for pushing the limits of efficient deployment. Multi-exit networks endow a backbone model with early exits, allowing to obtain predictions at intermediate layers of the model and thus save computation time and/or energy. However, current various designs of multi-exit networks are only considered to achieve the best trade-off between resource usage efficiency and prediction accuracy, the privacy risks stemming from them have never been explored. This prompts the need for a comprehensive investigation of privacy risks in multi-exit networks. In this paper, we perform the first privacy analysis of multi-exit networks through the lens of membership leakages. In particular, we first leverage the existing attack methodologies to quantify the multi-exit networks' vulnerability to membership leakages. Our experimental results show that multi-exit networks are less vulnerable to membership leakages and the exit (number and depth) attached to the backbone model is highly correlated with the attack performance. Furthermore, we propose a hybrid attack that exploits the exit information to improve the performance of existing attacks. We evaluate membership leakage threat caused by our hybrid attack under three different adversarial setups, ultimately arriving at a model-free and data-free adversary. These results clearly demonstrate that our hybrid attacks are very broadly applicable, thereby the corresponding risks are much more severe than shown by existing membership inference attacks. We further present a defense mechanism called TimeGuard specifically for multi-exit networks and show that TimeGuard mitigates the newly proposed attacks perfectly.

Masked image modeling (MIM) learns representations with remarkably good fine-tuning performances, overshadowing previous prevalent pre-training approaches such as image classification, instance contrastive learning, and image-text alignment. In this paper, we show that the inferior fine-tuning performance of these pre-training approaches can be significantly improved by a simple post-processing in the form of feature distillation (FD). The feature distillation converts the old representations to new representations that have a few desirable properties just like those representations produced by MIM. These properties, which we aggregately refer to as optimization friendliness, are identified and analyzed by a set of attention- and optimization-related diagnosis tools. With these properties, the new representations show strong fine-tuning performance. Specifically, the contrastive self-supervised learning methods are made as competitive in fine-tuning as the state-of-the-art masked image modeling (MIM) algorithms. The CLIP models' fine-tuning performance is also significantly improved, with a CLIP ViT-L model reaching 89.0% top-1 accuracy on ImageNet-1K classification. On the 3-billion-parameter SwinV2-G model, the fine-tuning accuracy is improved by +1.5 mIoU / +1.1 mAP to 61.4 mIoU / 64.2 mAP on ADE20K semantic segmentation and COCO object detection, respectively, creating new records on both benchmarks. More importantly, our work provides a way for the future research to focus more effort on the generality and scalability of the learnt representations without being pre-occupied with optimization friendliness since it can be enhanced rather easily. The code will be available at https://github.com/SwinTransformer/Feature-Distillation.

Although 3D point cloud classification has recently been widely deployed in different application scenarios, it is still very vulnerable to adversarial attacks. This increases the importance of robust training of 3D models in the face of adversarial attacks. Based on our analysis on the performance of existing adversarial attacks, more adversarial perturbations are found in the mid and high-frequency components of input data. Therefore, by suppressing the high-frequency content in the training phase, the models robustness against adversarial examples is improved. Experiments showed that the proposed defense method decreases the success rate of six attacks on PointNet, PointNet++ ,, and DGCNN models. In particular, improvements are achieved with an average increase of classification accuracy by 3.8 % on drop100 attack and 4.26 % on drop200 attack compared to the state-of-the-art methods. The method also improves models accuracy on the original dataset compared to other available methods.

Considering the models that apply the contextual information of time-series data could improve the fault diagnosis performance, some neural network structures such as RNN, LSTM, and GRU were proposed to model the fault diagnosis effectively. However, these models are restricted by their serial computation and hence cannot achieve high diagnostic efficiency. Also the parallel CNN is difficult to implement fault diagnosis in an efficient way because it requires larger convolution kernels or deep structure to achieve long-term feature extraction capabilities. Besides, BERT model applies absolute position embedding to introduce contextual information to the model, which would bring noise to the raw data and therefore cannot be applied to fault diagnosis directly. In order to address the above problems, a fault diagnosis model named deep parallel time-series relation network(DPTRN) has been proposed in this paper. There are mainly three advantages for DPTRN: (1) Our proposed time relationship unit is based on full multilayer perceptron(MLP) structure, therefore, DPTRN performs fault diagnosis in a parallel way and improves computing efficiency significantly. (2) By improving the absolute position embedding, our novel decoupling position embedding unit could be applied on the fault diagnosis directly and learn contextual information. (3) Our proposed DPTRN has obvious advantage in feature interpretability. We confirm the effect of the proposed method on four datasets, and the results show the effectiveness, efficiency and interpretability of the proposed DPTRN model.

Tracking all nuclei of an embryo in noisy and dense fluorescence microscopy data is a challenging task. We build upon a recent method for nuclei tracking that combines weakly-supervised learning from a small set of nuclei center point annotations with an integer linear program (ILP) for optimal cell lineage extraction. Our work specifically addresses the following challenging properties of C. elegans embryo recordings: (1) Many cell divisions as compared to benchmark recordings of other organisms, and (2) the presence of polar bodies that are easily mistaken as cell nuclei. To cope with (1), we devise and incorporate a learnt cell division detector. To cope with (2), we employ a learnt polar body detector. We further propose automated ILP weights tuning via a structured SVM, alleviating the need for tedious manual set-up of a respective grid search. Our method outperforms the previous leader of the cell tracking challenge on the Fluo-N3DH-CE embryo dataset. We report a further extensive quantitative evaluation on two more C. elegans datasets. We will make these datasets public to serve as an extended benchmark for future method development. Our results suggest considerable improvements yielded by our method, especially in terms of the correctness of division event detection and the number and length of fully correct track segments. Code: https://github.com/funkelab/linajea  ( 3 min )

This research is the second phase in a series of investigations on developing an Optical Character Recognition (OCR) of Arabic historical documents and examining how different modeling procedures interact with the problem. The first research studied the effect of Transformers on our custom-built Arabic dataset. One of the downsides of the first research was the size of the training data, a mere 15000 images from our 30 million images, due to lack of resources. Also, we add an image enhancement layer, time and space optimization, and Post-Correction layer to aid the model in predicting the correct word for the correct context. Notably, we propose an end-to-end text recognition approach using Vision Transformers as an encoder, namely BEIT, and vanilla Transformer as a decoder, eliminating CNNs for feature extraction and reducing the model's complexity. The experiments show that our end-to-end model outperforms Convolutions Backbones. The model attained a CER of 4.46%.  ( 2 min )

Unsupervised lifelong learning refers to the ability to learn over time while memorizing previous patterns without supervision. Previous works assumed strong prior knowledge about the incoming data (e.g., knowing the class boundaries) which can be impossible to obtain in complex and unpredictable environments. In this paper, motivated by real-world scenarios, we formally define the online unsupervised lifelong learning problem with class-incremental streaming data, which is non-iid and single-pass. The problem is more challenging than existing lifelong learning problems due to the absence of labels and prior knowledge. To address the issue, we propose Self-Supervised ContrAstive Lifelong LEarning (SCALE) which extracts and memorizes knowledge on-the-fly. SCALE is designed around three major components: a pseudo-supervised contrastive loss, a self-supervised forgetting loss, and an online memory update for uniform subset selection. All three components are designed to work collaboratively to maximize learning performance. Our loss functions leverage pairwise similarity thus remove the dependency on supervision or prior knowledge. We perform comprehensive experiments of SCALE under iid and four non-iid data streams. SCALE outperforms the best state-of-the-art algorithm on all settings with improvements of up to 6.43%, 5.23% and 5.86% kNN accuracy on CIFAR-10, CIFAR-100 and SubImageNet datasets.  ( 2 min )

Fuzzy hashes are an important tool in digital forensics and are used in approximate matching to determine the similarity between digital artifacts. They translate the byte code of files into computable strings, which makes them particularly interesting for intelligent machine processing. In this work, we propose deep learning approximate matching (DLAM), which achieves much higher accuracy in detecting anomalies in fuzzy hashes than conventional approaches. In addition to the well-known application for clustering malware, we show that fuzzy hashes and deep learning are indeed well-suited to classify files according to the presence of certain content, e.g., malware. DLAM relies on transformer-based models from the field of natural language processing and outperforms existing methods. Traditional fuzzy hashes like TLSH and ssdeep have a limited size and fail to detect file anomalies if they are relatively small compared to the overall file size. DLAM, however, enables the detection of such file correlations in the computed fuzzy hashes of TLSH and ssdeep, even for anomaly sizes of less than 15%. It achieves comparable results to state-of-the-art fuzzy hashing algorithms while relying on more efficient hash computations and can, therefore, be used at a much larger scale.  ( 2 min )

Fitting a theoretical model to experimental data in a Bayesian manner using Markov chain Monte Carlo typically requires one to evaluate the model thousands (or millions) of times. When the model is a slow-to-compute physics simulation, Bayesian model fitting becomes infeasible. To remedy this, a second statistical model that predicts the simulation output -- an "emulator" -- can be used in lieu of the full simulation during model fitting. A typical emulator of choice is the Gaussian process (GP), a flexible, non-linear model that provides both a predictive mean and variance at each input point. Gaussian process regression works well for small amounts of training data ($n 10^5$), trading away predictive accuracy for drastically reduced runtime. This work examines the accuracy-runtime trade-off of several approximate Gaussian process models -- the sparse variational GP, stochastic variational GP, and deep kernel learned GP -- when emulating the predictions of density functional theory (DFT) models. Additionally, we use the emulators to calibrate, in a Bayesian manner, the DFT model parameters using observed data, resolving the computational barrier imposed by the data set size, and compare calibration results to previous work. The utility of these calibrated DFT models is to make predictions, based on observed data, about the properties of experimentally unobserved nuclides of interest e.g. super-heavy nuclei.  ( 3 min )

We introduce a novel federated learning framework, FedD3, which reduces the overall communication volume and with that opens up the concept of federated learning to more application scenarios in network-constrained environments. It achieves this by leveraging local dataset distillation instead of traditional learning approaches (i) to significantly reduce communication volumes and (ii) to limit transfers to one-shot communication, rather than iterative multiway communication. Instead of sharing model updates, as in other federated learning approaches, FedD3 allows the connected clients to distill the local datasets independently, and then aggregates those decentralized distilled datasets (typically in the form a few unrecognizable images, which are normally smaller than a model) across the network only once to form the final model. Our experimental results show that FedD3 significantly outperforms other federated learning frameworks in terms of needed communication volumes, while it provides the additional benefit to be able to balance the trade-off between accuracy and communication cost, depending on usage scenario or target dataset. For instance, for training an AlexNet model on a Non-IID CIFAR-10 dataset with 10 clients, FedD3 can either increase the accuracy by over 71% with a similar communication volume, or save 98% of communication volume, while reaching the same accuracy, comparing to other one-shot federated learning approaches.  ( 3 min )

Visual question answering (VQA) that leverages multi-modality data has attracted intensive interest in real-life applications, such as home robots and clinic diagnoses. Nevertheless, one of the challenges is to design robust learning for different client tasks. This work aims to bridge the gap between the prerequisite of large-scale training data and the constraint of client data sharing mainly due to confidentiality. We propose the Unidirectional Split Learning with Contrastive Loss (UniCon) to tackle VQA tasks training on distributed data silos. In particular, UniCon trains a global model over the entire data distribution of different clients learning refined cross-modal representations via contrastive learning. The learned representations of the global model aggregate knowledge from different local tasks. Moreover, we devise a unidirectional split learning framework to enable more efficient knowledge sharing. The comprehensive experiments with five state-of-the-art VQA models on the VQA-v2 dataset demonstrated the efficacy of UniCon, achieving an accuracy of 49.89% in the validation set of VQA-v2. This work is the first study of VQA under the constraint of data confidentiality using self-supervised Split Learning.  ( 2 min )

The problem of minimizing a polynomial over a set of polynomial inequalities is an NP-hard non-convex problem. Thanks to powerful results from real algebraic geometry, one can convert this problem into a nested sequence of finite-dimensional convex problems. At each step of the associated hierarchy, one needs to solve a fixed size semidefinite program, which can be in turn solved with efficient numerical tools. On the practical side however, there is \emph{no-free lunch} and such optimization methods usually encompass severe scalability issues. Fortunately, for many applications, we can \emph{look at the problem in the eyes} and exploit the inherent data structure arising from the cost and constraints describing the problem, for instance sparsity or symmetries. This book presents several research efforts to tackle this scientific challenge with important computational implications, and provides the development of alternative optimization schemes that scale well in terms of computational complexity, at least in some identified class of problems. The presented algorithmic framework in this book mainly exploits the sparsity structure of the input data to solve large-scale polynomial optimization problems. We present sparsity-exploiting hierarchies of relaxations, for either unconstrained or constrained problems. By contrast with the dense hierarchies, they provide faster approximation of the solution in practice but also come with the same theoretical convergence guarantees. Our framework is not restricted to \emph{static} polynomial optimization, and we expose hierarchies of approximations for values of interest arising from the analysis of dynamical systems. We also present various extensions to problems involving noncommuting variables, e.g., matrices of arbitrary size or quantum physic operators.  ( 3 min )

Neural network (NN)-based methods have emerged as an attractive approach for robot motion planning due to strong learning capabilities of NN models and their inherently high parallelism. Despite the current development in this direction, the efficient capture and processing of important sequential and spatial information, in a direct and simultaneous way, is still relatively under-explored. To overcome the challenge and unlock the potentials of neural networks for motion planning tasks, in this paper, we propose STP-Net, an end-to-end learning framework that can fully extract and leverage important spatio-temporal information to form an efficient neural motion planner. By interpreting the movement of the robot as a video clip, robot motion planning is transformed to a video prediction task that can be performed by STP-Net in both spatially and temporally efficient ways. Empirical evaluations across different seen and unseen environments show that, with nearly 100% accuracy (aka, success rate), STP-Net demonstrates very promising performance with respect to both planning speed and path cost. Compared with existing NN-based motion planners, STP-Net achieves at least 5x, 2.6x and 1.8x faster speed with lower path cost on 2D Random Forest, 2D Maze and 3D Random Forest environments, respectively. Furthermore, STP-Net can quickly and simultaneously compute multiple near-optimal paths in multi-robot motion planning tasks  ( 3 min )

Accurately estimating a battery's state of health (SOH) helps prevent battery-powered applications from failing unexpectedly. With the superiority of reducing the data requirement of model training for new batteries, transfer learning (TL) emerges as a promising machine learning approach that applies knowledge learned from a source battery, which has a large amount of data. However, the determination of whether the source battery model is reasonable and which part of information can be transferred for SOH estimation are rarely discussed, despite these being critical components of a successful TL. To address these challenges, this paper proposes an interpretable TL-based SOH estimation method by exploiting the temporal dynamic to assist transfer learning, which consists of three parts. First, with the help of dynamic time warping, the temporal data from the discharge time series are synchronized, yielding the warping path of the cycle-synchronized time series responsible for capacity degradation over cycles. Second, the canonical variates retrieved from the spatial path of the cycle-synchronized time series are used for distribution similarity analysis between the source and target batteries. Third, when the distribution similarity is within the predefined threshold, a comprehensive target SOH estimation model is constructed by transferring the common temporal dynamics from the source SOH estimation model and compensating the errors with a residual model from the target battery. Through a widely-used open-source benchmark dataset, the estimation error of the proposed method evaluated by the root mean squared error is as low as 0.0034 resulting in a 77% accuracy improvement compared with existing methods.  ( 3 min )

Generating new molecules with specified chemical and biological properties via generative models has emerged as a promising direction for drug discovery. However, existing methods require extensive training/fine-tuning with a large dataset, often unavailable in real-world generation tasks. In this work, we propose a new retrieval-based framework for controllable molecule generation. We use a small set of exemplar molecules, i.e., those that (partially) satisfy the design criteria, to steer the pre-trained generative model towards synthesizing molecules that satisfy the given design criteria. We design a retrieval mechanism that retrieves and fuses the exemplar molecules with the input molecule, which is trained by a new self-supervised objective that predicts the nearest neighbor of the input molecule. We also propose an iterative refinement process to dynamically update the generated molecules and retrieval database for better generalization. Our approach is agnostic to the choice of generative models and requires no task-specific fine-tuning. On various tasks ranging from simple design criteria to a challenging real-world scenario for designing lead compounds that bind to the SARS-CoV-2 main protease, we demonstrate our approach extrapolates well beyond the retrieval database, and achieves better performance and wider applicability than previous methods.  ( 3 min )

This is a theoretical paper, as a companion paper of the keynote talk at the same conference. In contrast to conscious learning, many projects in AI have employed deep learning many of which seem to give impressive performance data. This paper explains that such performance data are probably misleadingly inflated due to two possible misconducts: data deletion and test on training set. This paper clarifies what is data deletion in deep learning and what is test on training set in deep learning and why they are misconducts. A simple classification method is defined, called nearest neighbor with threshold (NNWT). A theorem is established that the NNWT method reaches a zero error on any validation set and any test set using Post-Selections, as long as the test set is in the possession of the author and both the amount of storage space and the time of training are finite but unbounded like with many deep learning methods. However, like many deep learning methods, the NNWT method has little generalization power. The evidence that misconducts actually took place in many deep learning projects is beyond the scope of this paper. Without a transparent account about freedom from Post-Selections, deep learning data are misleading.  ( 2 min )

The absence of large labeled datasets remains a significant challenge in many application areas of deep learning. Researchers and practitioners typically resort to transfer learning and data augmentation to alleviate this issue. We study these strategies in the context of audio retrieval with natural language queries (Task 6b of the DCASE 2022 Challenge). Our proposed system uses pre-trained embedding models to project recordings and textual descriptions into a shared audio-caption space in which related examples from different modalities are close. We employ various data augmentation techniques on audio and text inputs and systematically tune their corresponding hyperparameters with sequential model-based optimization. Our results show that the used augmentations strategies reduce overfitting and improve retrieval performance. We further show that pre-training the system on the AudioCaps dataset leads to additional improvements.  ( 2 min )

In real-world scenarios, reinforcement learning under sparse-reward synergistic settings has remained challenging, despite surging interests in this field. Previous attempts suggest that intrinsic reward can alleviate the issue caused by sparsity. In this paper, we present a novel intrinsic reward that is inspired by human learning, as humans evaluate curiosity by comparing current observations with historical knowledge. Specifically, we train a self-supervised prediction model and save a set of snapshots of the model parameters, without incurring addition training cost. Then we employ nuclear norm to evaluate the temporal inconsistency between the predictions of different snapshots, which can be further deployed as the intrinsic reward. Moreover, a variational weighting mechanism is proposed to assign weight to different snapshots in an adaptive manner. We demonstrate the efficacy of the proposed method in various benchmark environments. The results suggest that our method can provide overwhelming state-of-the-art performance compared with other intrinsic reward-based methods, without incurring additional training costs and maintaining higher noise tolerance. Our code will be released publicly to enhance reproducibility.  ( 2 min )

This paper identifies several characteristics of approximate MCMC in Bayesian deep learning. It proposes an approximate sampling algorithm for neural networks. By analogy to sampling data batches from big datasets, it is proposed to sample parameter subgroups from neural network parameter spaces of high dimensions. While the advantages of minibatch MCMC have been discussed in the literature, blocked Gibbs sampling has received less research attention in Bayesian deep learning.  ( 2 min )

Recently, masked image modeling (MIM) has gained considerable attention due to its capacity to learn from vast amounts of unlabeled data and has been demonstrated to be effective on a wide variety of vision tasks involving natural images. Meanwhile, the potential of self-supervised learning in modeling 3D medical images is anticipated to be immense due to the high quantities of unlabeled images, and the expense and difficulty of quality labels. However, MIM's applicability to medical images remains uncertain. In this paper, we demonstrate that masked image modeling approaches can also advance 3D medical images analysis in addition to natural images. We study how masked image modeling strategies leverage performance from the viewpoints of 3D medical image segmentation as a representative downstream task: i) when compared to naive contrastive learning, masked image modeling approaches accelerate the convergence of supervised training even faster (1.40$\times$) and ultimately produce a higher dice score; ii) predicting raw voxel values with a high masking ratio and a relatively smaller patch size is non-trivial self-supervised pretext-task for medical images modeling; iii) a lightweight decoder or projection head design for reconstruction is powerful for masked image modeling on 3D medical images which speeds up training and reduce cost; iv) finally, we also investigate the effectiveness of MIM methods under different practical scenarios where different image resolutions and labeled data ratios are applied.  ( 3 min )

Epidemic forecasting is the key to effective control of epidemic transmission and helps the world mitigate the crisis that threatens public health. To better understand the transmission and evolution of epidemics, we propose EpiGNN, a graph neural network-based model for epidemic forecasting. Specifically, we design a transmission risk encoding module to characterize local and global spatial effects of regions in epidemic processes and incorporate them into the model. Meanwhile, we develop a Region-Aware Graph Learner (RAGL) that takes transmission risk, geographical dependencies, and temporal information into account to better explore spatial-temporal dependencies and makes regions aware of related regions' epidemic situations. The RAGL can also combine with external resources, such as human mobility, to further improve prediction performance. Comprehensive experiments on five real-world epidemic-related datasets (including influenza and COVID-19) demonstrate the effectiveness of our proposed method and show that EpiGNN outperforms state-of-the-art baselines by 9.48% in RMSE.  ( 3 min )

In dermatological disease diagnosis, the private data collected by mobile dermatology assistants exist on distributed mobile devices of patients. Federated learning (FL) can use decentralized data to train models while keeping data local. Existing FL methods assume all the data have labels. However, medical data often comes without full labels due to high labeling costs. Self-supervised learning (SSL) methods, contrastive learning (CL) and masked autoencoders (MAE), can leverage the unlabeled data to pre-train models, followed by fine-tuning with limited labels. However, combining SSL and FL has unique challenges. For example, CL requires diverse data but each device only has limited data. For MAE, while Vision Transformer (ViT) based MAE has higher accuracy over CNNs in centralized learning, MAE's performance in FL with unlabeled data has not been investigated. Besides, the ViT synchronization between the server and clients is different from traditional CNNs. Therefore, special synchronization methods need to be designed. In this work, we propose two federated self-supervised learning frameworks for dermatological disease diagnosis with limited labels. The first one features lower computation costs, suitable for mobile devices. The second one features high accuracy and fits high-performance servers. Based on CL, we proposed federated contrastive learning with feature sharing (FedCLF). Features are shared for diverse contrastive information without sharing raw data for privacy. Based on MAE, we proposed FedMAE. Knowledge split separates the global and local knowledge learned from each client. Only global knowledge is aggregated for higher generalization performance. Experiments on dermatological disease datasets show superior accuracy of the proposed frameworks over state-of-the-arts.  ( 3 min )

Concomitant administration of drugs can cause drug-drug interactions (DDIs). Some drug combinations are beneficial, but other ones may cause negative effects which are previously unrecorded. Previous works on DDI prediction usually rely on hand-engineered domain knowledge, which is laborious to obtain. In this work, we propose a novel model, Molecular Substructure-Aware Network (MSAN), to effectively predict potential DDIs from molecular structures of drug pairs. We adopt a Transformer-like substructure extraction module to acquire a fixed number of representative vectors that are associated with various substructure patterns of the drug molecule. Then, interaction strength between the two drugs' substructures will be captured by a similarity-based interaction module. We also perform a substructure dropping augmentation before graph encoding to alleviate overfitting. Experimental results from a real-world dataset reveal that our proposed model achieves the state-of-the-art performance. We also show that the predictions of our model are highly interpretable through a case study.  ( 2 min )

We study fairness in the context of classification where the performance is measured by the area under the curve (AUC) of the receiver operating characteristic. AUC is commonly used to measure the performance of prediction models. The same classifier can have significantly varying AUCs for different protected groups and, in real-world applications, it is often desirable to reduce such cross-group differences. We address the problem of how to acquire additional features to most greatly improve AUC for the disadvantaged group. We develop a novel approach, fairAUC, based on feature augmentation (adding features) to mitigate bias between identifiable groups. The approach requires only a few summary statistics to offer provable guarantees on AUC improvement, and allows managers flexibility in determining where in the fairness-accuracy tradeoff they would like to be. We evaluate fairAUC on synthetic and real-world datasets and find that it significantly improves AUC for the disadvantaged group relative to benchmarks maximizing overall AUC and minimizing bias between groups.  ( 2 min )

We state concentration and martingale inequalities for the output of the hidden layers of a stochastic deep neural network (SDNN), as well as for the output of the whole SDNN. These results allow us to introduce an expected classifier (EC), and to give probabilistic upper bound for the classification error of the EC. We also state the optimal number of layers for the SDNN via an optimal stopping procedure. We apply our analysis to a stochastic version of a feedforward neural network with ReLU activation function.  ( 2 min )

Anomalies (or outliers) are prevalent in real-world empirical observations and potentially mask important underlying structures. Accurate identification of anomalous samples is crucial for the success of downstream data analysis tasks. To automatically identify anomalies, we propose Probabilistic Robust AutoEncoder (PRAE). PRAE aims to simultaneously remove outliers and identify a low-dimensional representation for the inlier samples. We first present the Robust AutoEncoder (RAE) objective as a minimization problem for splitting the data into inliers and outliers. Our objective is designed to exclude outliers while including a subset of samples (inliers) that can be effectively reconstructed using an AutoEncoder (AE). RAE minimizes the autoencoder's reconstruction error while incorporating as many samples as possible. This could be formulated via regularization by subtracting an $\ell_0$ norm counting the number of selected samples from the reconstruction term. Unfortunately, this leads to an intractable combinatorial problem. Therefore, we propose two probabilistic relaxations of RAE, which are differentiable and alleviate the need for a combinatorial search. We prove that the solution to the PRAE problem is equivalent to the solution of RAE. We use synthetic data to show that PRAE can accurately remove outliers in a wide range of contamination levels. Finally, we demonstrate that using PRAE for anomaly detection leads to state-of-the-art results on various benchmark datasets.  ( 3 min )

In Bora et al. (2017), a mathematical framework was developed for compressed sensing guarantees in the setting where the measurement matrix is Gaussian and the signal structure is the range of a generative neural network (GNN). The problem of compressed sensing with GNNs has since been extensively analyzed when the measurement matrix and/or network weights follow a subgaussian distribution. We move beyond the subgaussian assumption, to measurement matrices that are derived by sampling uniformly at random rows of a unitary matrix (including subsampled Fourier measurements as a special case). Specifically, we prove the first known restricted isometry guarantee for generative compressed sensing with subsampled isometries, and provide recovery bounds with nearly order-optimal sample complexity, addressing an open problem of Scarlett et al. (2022, p. 10). Recovery efficacy is characterized by the coherence, a new parameter, which measures the interplay between the range of the network and the measurement matrix. Our approach relies on subspace counting arguments and ideas central to high-dimensional probability. Furthermore, we propose a regularization strategy for training GNNs to have favourable coherence with the measurement operator. We provide compelling numerical simulations that support this regularized training strategy: our strategy yields low coherence networks that require fewer measurements for signal recovery. This, together with our theoretical results, supports coherence as a natural quantity for characterizing generative compressed sensing with subsampled isometries.  ( 3 min )

Recently, the seminal algorithms AlphaGo and AlphaZero have started a new era in game learning and deep reinforcement learning. While the achievements of AlphaGo and AlphaZero - playing Go and other complex games at super human level - are truly impressive, these architectures have the drawback that they require high computational resources. Many researchers are looking for methods that are similar to AlphaZero, but have lower computational demands and are thus more easily reproducible. In this paper, we pick an important element of AlphaZero - the Monte Carlo Tree Search (MCTS) planning stage - and combine it with temporal difference (TD) learning agents. We wrap MCTS for the first time around TD n-tuple networks and we use this wrapping only at test time to create versatile agents that keep at the same time the computational demands low. We apply this new architecture to several complex games (Othello, ConnectFour, Rubik's Cube) and show the advantages achieved with this AlphaZero-inspired MCTS wrapper. In particular, we present results that this agent is the first one trained on standard hardware (no GPU or TPU) to beat the very strong Othello program Edax up to and including level 7 (where most other learning-from-scratch algorithms could only defeat Edax up to level 2).  ( 3 min )

We present a novel framework for specifying and verifying correctness globally for neural networks on perception tasks. Most previous works on neural network verification for perception tasks focus on robustness verification. Unlike robustness verification, which aims to verify that the prediction of a network is stable in some local regions around labelled points, our framework provides a way to specify correctness globally in the whole target input space and verify that the network is correct for all target inputs (or find the regions where the network is not correct). We provide a specification through 1) a state space consisting of all relevant states of the world and 2) an observation process that produces neural network inputs from the states of the world. Tiling the state and input spaces with a finite number of tiles, obtaining ground truth bounds from the state tiles and network output bounds from the input tiles, then comparing the ground truth and network output bounds delivers an upper bound on the network output error for any inputs of interest. The presented framework also enables detecting illegal inputs -- inputs that are not contained in (or close to) the target input space as defined by the state space and observation process (the neural network is not designed to work on them), so that we can flag when we don't have guarantees. Results from two case studies highlight the ability of our technique to verify error bounds over the whole target input space and show how the error bounds vary over the state and input spaces.  ( 3 min )

Federated Learning is a recent approach to train statistical models on distributed datasets without violating privacy constraints. The data locality principle is preserved by sharing the model instead of the data between clients and the server. This brings many advantages but also poses new challenges. In this report, we explore this new research area and perform several experiments to deepen our understanding of what these challenges are and how different problem settings affect the performance of the final model. Finally, we present a novel approach to one of these challenges and compare it to other methods found in literature.  ( 2 min )

In this paper, we focus on the generation of time-series data using neural networks. It is often the case that input time-series data have only one realized (and usually irregularly sampled) path, which makes it difficult to extract time-series characteristics, and its noise structure is more complicated than i.i.d. type. Time series data, especially from hydrology, telecommunications, economics, and finance, exhibit long-term memory also called long-range dependency (LRD). The main purpose of this paper is to artificially generate time series with the help of neural networks, making the LRD of paths into account. We propose fSDE-Net: neural fractional Stochastic Differential Equation Network. It generalizes the neural stochastic differential equation model by using fractional Brownian motion with a Hurst index larger than half, which exhibits the LRD property. We derive the solver of fSDE-Net and theoretically analyze the existence and uniqueness of the solution to fSDE-Net. Our experiments with artificial and real time-series data demonstrate that the fSDE-Net model can replicate distributional properties well.  ( 2 min )

Generalized Linear Models (GLM) form a wide class of regression and classification models, where prediction is a function of a linear combination of the input variables. For statistical inference in high dimension, sparsity inducing regularizations have proven to be useful while offering statistical guarantees. However, solving the resulting optimization problems can be challenging: even for popular iterative algorithms such as coordinate descent, one needs to loop over a large number of variables. To mitigate this, techniques known as screening rules and working sets diminish the size of the optimization problem at hand, either by progressively removing variables, or by solving a growing sequence of smaller problems. For both techniques, significant variables are identified thanks to convex duality arguments. In this paper, we show that the dual iterates of a GLM exhibit a Vector AutoRegressive (VAR) behavior after sign identification, when the primal problem is solved with proximal gradient descent or cyclic coordinate descent. Exploiting this regularity, one can construct dual points that offer tighter certificates of optimality, enhancing the performance of screening rules and helping to design competitive working set algorithms.  ( 2 min )

In this paper we study the problem of learning a shallow artificial neural network that best fits a training data set. We study this problem in the over-parameterized regime where the number of observations are fewer than the number of parameters in the model. We show that with quadratic activations the optimization landscape of training such shallow neural networks has certain favorable characteristics that allow globally optimal models to be found efficiently using a variety of local search heuristics. This result holds for an arbitrary training data of input/output pairs. For differentiable activation functions we also show that gradient descent, when suitably initialized, converges at a linear rate to a globally optimal model. This result focuses on a realizable model where the inputs are chosen i.i.d. from a Gaussian distribution and the labels are generated according to planted weight coefficients.  ( 2 min )

This paper proposes a Disentangled gEnerative cAusal Representation (DEAR) learning method under appropriate supervised information. Unlike existing disentanglement methods that enforce independence of the latent variables, we consider the general case where the underlying factors of interests can be causally related. We show that previous methods with independent priors fail to disentangle causally related factors even under supervision. Motivated by this finding, we propose a new disentangled learning method called DEAR that enables causal controllable generation and causal representation learning. The key ingredient of this new formulation is to use a structural causal model (SCM) as the prior distribution for a bidirectional generative model. The prior is then trained jointly with a generator and an encoder using a suitable GAN algorithm incorporated with supervised information on the ground-truth factors and their underlying causal structure. We provide theoretical justification on the identifiability and asymptotic convergence of the proposed method. We conduct extensive experiments on both synthesized and real data sets to demonstrate the effectiveness of DEAR in causal controllable generation, and the benefits of the learned representations for downstream tasks in terms of sample efficiency and distributional robustness.  ( 3 min )

Gaussian Mixture Models are a powerful tool in Data Science and Statistics that are mainly used for clustering and density approximation. The task of estimating the model parameters is in practice often solved by the Expectation Maximization (EM) algorithm which has its benefits in its simplicity and low per-iteration costs. However, the EM converges slowly if there is a large share of hidden information or overlapping clusters. Recent advances in manifold optimization for Gaussian Mixture Models have gained increasing interest. We introduce an explicit formula for the Riemannian Hessian for Gaussian Mixture Models. On top, we propose a new Riemannian Newton Trust-Region method which outperforms current approaches both in terms of runtime and number of iterations. We apply our method on clustering problems and density approximation tasks. Our method is very powerful for data with a large share of hidden information compared to existing methods.  ( 2 min )

We consider outlier robust and sparse estimation of linear regression coefficients when covariates and noise are sampled, respectively, from an $\mathfrak{L}$-subGaussian distribution and a heavy-tailed distribution, and additionally, the covariates and noise are contaminated by adversarial outliers. We deal with two cases: known or unknown covariance of the covariates. Particularly, in the former case, our estimator attains nearly information theoretical optimal error bound, and our error bound is sharper than that of earlier studies dealing with similar situations. Our estimator analysis relies heavily on Generic Chaining to derive sharp error bounds.  ( 2 min )

This paper identifies several characteristics of approximate MCMC in Bayesian deep learning. It proposes an approximate sampling algorithm for neural networks. By analogy to sampling data batches from big datasets, it is proposed to sample parameter subgroups from neural network parameter spaces of high dimensions. While the advantages of minibatch MCMC have been discussed in the literature, blocked Gibbs sampling has received less research attention in Bayesian deep learning.  ( 2 min )

Neural networks with recurrent asymmetric couplings are important to understand how episodic memories are encoded in the brain. Here, we integrate the experimental observation of wide synaptic integration window into our model of sequence retrieval in the continuous time dynamics. The model with non-normal neuron-interactions is theoretically studied by deriving a random matrix theory of the Jacobian matrix in neural dynamics. The spectra bears several distinct features, such as breaking rotational symmetry about the origin, and the emergence of nested voids within the spectrum boundary. The spectral density is thus highly non-uniformly distributed in the complex plane. The random matrix theory also predicts a transition to chaos. In particular, the edge of chaos provides computational benefits for the sequential retrieval of memories. Our work provides a systematic study of time-lagged correlations with arbitrary time delays, and thus can inspire future studies of a broad class of memory models, and even big data analysis of biological time series.  ( 2 min )

Split computing has emerged as a recent paradigm for implementation of DNN-based AI workloads, wherein a DNN model is split into two parts, one of which is executed on a mobile/client device and the other on an edge-server (or cloud). Data compression is applied to the intermediate tensor from the DNN that needs to be transmitted, addressing the challenge of optimizing the rate-accuracy-complexity trade-off. Existing split-computing approaches adopt ML-based data compression, but require that the parameters of either the entire DNN model, or a significant portion of it, be retrained for different compression levels. This incurs a high computational and storage burden: training a full DNN model from scratch is computationally demanding, maintaining multiple copies of the DNN parameters increases storage requirements, and switching the full set of weights during inference increases memory bandwidth. In this paper, we present an approach that addresses all these challenges. It involves the systematic design and training of bottleneck units - simple, low-cost neural networks - that can be inserted at the point of split. Our approach is remarkably lightweight, both during training and inference, highly effective and achieves excellent rate-distortion performance at a small fraction of the compute and storage overhead compared to existing methods.  ( 3 min )

We consider an online estimation problem involving a set of agents. Each agent has access to a (personal) process that generates samples from a real-valued distribution and seeks to estimate its mean. We study the case where some of the distributions have the same mean, and the agents are allowed to actively query information from other agents. The goal is to design an algorithm that enables each agent to improve its mean estimate thanks to communication with other agents. The means as well as the number of distributions with same mean are unknown, which makes the task nontrivial. We introduce a novel collaborative strategy to solve this online personalized mean estimation problem. We analyze its time complexity and introduce variants that enjoy good performance in numerical experiments. We also extend our approach to the setting where clusters of agents with similar means seek to estimate the mean of their cluster.  ( 2 min )

Accurately estimating a battery's state of health (SOH) helps prevent battery-powered applications from failing unexpectedly. With the superiority of reducing the data requirement of model training for new batteries, transfer learning (TL) emerges as a promising machine learning approach that applies knowledge learned from a source battery, which has a large amount of data. However, the determination of whether the source battery model is reasonable and which part of information can be transferred for SOH estimation are rarely discussed, despite these being critical components of a successful TL. To address these challenges, this paper proposes an interpretable TL-based SOH estimation method by exploiting the temporal dynamic to assist transfer learning, which consists of three parts. First, with the help of dynamic time warping, the temporal data from the discharge time series are synchronized, yielding the warping path of the cycle-synchronized time series responsible for capacity degradation over cycles. Second, the canonical variates retrieved from the spatial path of the cycle-synchronized time series are used for distribution similarity analysis between the source and target batteries. Third, when the distribution similarity is within the predefined threshold, a comprehensive target SOH estimation model is constructed by transferring the common temporal dynamics from the source SOH estimation model and compensating the errors with a residual model from the target battery. Through a widely-used open-source benchmark dataset, the estimation error of the proposed method evaluated by the root mean squared error is as low as 0.0034 resulting in a 77% accuracy improvement compared with existing methods.  ( 3 min )

We propose organisation conditions that yield a method for training SOM with adaptative neighborhood radius in a variational Bayesian framework. This method is validated on a non-stationary setting and compared in an high-dimensional setting with an other adaptative method.  ( 2 min )

Fitting a theoretical model to experimental data in a Bayesian manner using Markov chain Monte Carlo typically requires one to evaluate the model thousands (or millions) of times. When the model is a slow-to-compute physics simulation, Bayesian model fitting becomes infeasible. To remedy this, a second statistical model that predicts the simulation output -- an "emulator" -- can be used in lieu of the full simulation during model fitting. A typical emulator of choice is the Gaussian process (GP), a flexible, non-linear model that provides both a predictive mean and variance at each input point. Gaussian process regression works well for small amounts of training data ($n 10^5$), trading away predictive accuracy for drastically reduced runtime. This work examines the accuracy-runtime trade-off of several approximate Gaussian process models -- the sparse variational GP, stochastic variational GP, and deep kernel learned GP -- when emulating the predictions of density functional theory (DFT) models. Additionally, we use the emulators to calibrate, in a Bayesian manner, the DFT model parameters using observed data, resolving the computational barrier imposed by the data set size, and compare calibration results to previous work. The utility of these calibrated DFT models is to make predictions, based on observed data, about the properties of experimentally unobserved nuclides of interest e.g. super-heavy nuclei.  ( 3 min )

The matrix completion problem seeks to recover a $d\times d$ ground truth matrix of low rank $r\ll d$ from observations of its individual elements. Real-world matrix completion is often a huge-scale optimization problem, with $d$ so large that even the simplest full-dimension vector operations with $O(d)$ time complexity become prohibitively expensive. Stochastic gradient descent (SGD) is one of the few algorithms capable of solving matrix completion on a huge scale, and can also naturally handle streaming data over an evolving ground truth. Unfortunately, SGD experiences a dramatic slow-down when the underlying ground truth is ill-conditioned; it requires at least $O(\kappa\log(1/\epsilon))$ iterations to get $\epsilon$-close to ground truth matrix with condition number $\kappa$. In this paper, we propose a preconditioned version of SGD that preserves all the favorable practical qualities of SGD for huge-scale online optimization while also making it agnostic to $\kappa$. For a symmetric ground truth and the Root Mean Square Error (RMSE) loss, we prove that the preconditioned SGD converges to $\epsilon$-accuracy in $O(\log(1/\epsilon))$ iterations, with a rapid linear convergence rate as if the ground truth were perfectly conditioned with $\kappa=1$. In our numerical experiments, we observe a similar acceleration for ill-conditioned matrix completion under the 1-bit cross-entropy loss, as well as pairwise losses such as the Bayesian Personalized Ranking (BPR) loss.  ( 3 min )

submitted by /u/ai-lover [link] [comments]  ( 88 min )

submitted by /u/Kedjja [link] [comments]  ( 87 min )

chess is a game with practically infinite moves that, given parameter values, can be calculated down to specific finite options to win or at least defend. is it conceivable a future ai capable of understanding the world, and also capable of communicating its understanding to humans could, given parameters and values that would matter to human ears, convince us of its point of view with the same prowess they can beat us at chess today? is this metaphor at all a fit? submitted by /u/aq-r-steppedinsome [link] [comments]  ( 89 min )

submitted by /u/tailorvikas56 [link] [comments]  ( 87 min )

submitted by /u/estasfuera [link] [comments]  ( 89 min )

submitted by /u/Louistiti [link] [comments]  ( 87 min )

submitted by /u/Futures_Bot [link] [comments]  ( 87 min )

submitted by /u/West_Alan_880 [link] [comments]  ( 86 min )

submitted by /u/icyFur [link] [comments]  ( 87 min )

submitted by /u/prfitofthesngularity [link] [comments]  ( 87 min )

submitted by /u/solidist [link] [comments]  ( 86 min )

submitted by /u/prfitofthesngularity [link] [comments]  ( 87 min )

submitted by /u/kbf_ [link] [comments]  ( 87 min )

Could a website use AI to scan websites and update a host site? For example: A system that explores other webpages to find scores and updates the scores on its host site. Or can systems not navigate webpages like that on their own to find information? submitted by /u/nattescott [link] [comments]  ( 87 min )

submitted by /u/Kedjja [link] [comments]  ( 87 min )

Hello all! This weekend I wrote: goa-loader, National Gallery of Art Open Data Program tf.data.Dataset Loader and generative modeling to accompany Let me know if you use the loader. Open to PRs to add GANs or anything else interesting, enjoy! submitted by /u/puppet_pals [link] [comments]  ( 88 min )

Let's say I have a string similar to "A00 2075 1x10 A00 2078 2x10" Where it should be tagged as "A00 (tagA1) 2075 (tagB1) 1x10 (tagC1) A00 (tagA2) 2078 (tagB2) 2x10 (tagC2)" With enough examples, would spacy be able to detect A00 as tagA1 if it's the first instance found and the other A00 as tagA2 since it's the second instance of it? In summary, is spaCy able to use the location of a tag in reference to another one to determine the correct tag to use? TagA1 must be used in order for TagA2 to be used if that makes sense. Please let me know if any part of this question is unclear and I can try to clarify it. submitted by /u/1017BarSquad [link] [comments]  ( 106 min )

Our paper (accepted at CoLAs 2022 and to be published in PMLR) is out! Check out the paper on ArXiv : https://arxiv.org/abs/2208.02377 TLDR : We show that Meta-Learning generalization to novel OOD task distributions can be inferred from the neural activation dynamics from a few unlabeled examples, and we propose Activation-Based Early-Stopping (ABE). submitted by /u/Simon_Guiroy [link] [comments]  ( 106 min )

So, I have decided to take up the new machine learning course by Andrew Ng on coursera, unfortunately, I cannot afford the course and since this is a 3 part series integrated course, financial aid is available for 1 of the 3 courses. Is there a way I could get all 3 for free? submitted by /u/Buzzzzmonkey [link] [comments]  ( 106 min )

https://codesearch.ai Hey, I'm Rok, a software engineer at Sourcegraph, and I've been working on an experimental AI-powered code search engine called codesearch.ai as a side project. It answers natural language queries with functions indexed from GitHub.com and StackOverflow. Under the hood, it uses the Hugging Face RoBERTa model, and the training procedure is inspired by a paper called Text and Code Embeddings by Contrastive Pretraining from OpenAI. Additionally, it uses a custom PyTorch model to fine-tune the model on the code search task, the FAISS library for nearest neighbor search, and FastAPI for a simple API server. Data collection and processing are written in Go. We prepared a detailed code walkthrough if you are interested in data collection and the training procedures. The open source code is available in a GitHub repository. The model currently has 43M parameters, a far cry from GPT3 and Codex models. The reduced size means that the results are not perfect, and you could quickly get nonsensical results. Nonetheless, we have been pretty satisfied with the model's ability to answer a wide range of queries, and expanding the model should hopefully give us even better results. If you have any feedback or questions, leave a comment. submitted by /u/add7 [link] [comments]  ( 90 min )

Stable Diffusion has been making a lot of noise ever since it was officially announced, not to mention the last 24 hours since it was fully released. And based on its performance - rightfully so. Created by the researchers from Stability AI, "Stable Diffusion" claims the crown from Craiyon (AKA DALL·E-Mini), to be the new state-of-the-art, text-to-image, open-source model. https://preview.redd.it/ctw5vnusdoj91.png?width=574&format=png&auto=webp&s=a22c776f6983fae738c2e38b0ec2fb606f41afa3 Although generating images from text already feels like ancient technology, Stable Diffusion manages to bring innovation to the table, which is even more surprising given that it's an open-source project. In my new blog, I crack the hood of Stable Diffusion, examine its architecture and the innovation it brings to the table, dive into the technical details, and compare its performance to similar models. I invite you to read about all of these in my new blog submitted by /u/RepresentativeCod613 [link] [comments]  ( 89 min )

I want to see papers in ECCV 2022 which are about NeRF! submitted by /u/No_Fig_3372 [link] [comments]  ( 104 min )

Hi all, Im currently building a pipeline to detect drifts in my data. I'm able to update my dataset (n=100k - 10m), in which every row has a few categorical features and an embedding. The embedding vector (len=192, normelized) is the output of some CNN and Im trying to use it to detect drift in the data. I was wondering: which statistical test you would use to detect drift in such a scenario? I've used evidently for Wasserstein but it doesn't seem to be appropriate for this problem. I've read somewhere tit's more appropriate for a univariant case. I've also seen a nannyML's PCA solution which I liked. submitted by /u/Darmerr [link] [comments]  ( 109 min )

I hear co-workers, professors, entrepreneurs talk about just how important it is to switch from model-centric AI to a data-centric approach. Personally I don't see a problem focusing on attaining better data but I have been seeing this simplification that AI performance = model + data which seems massively misleading. A better generalization would be AI performance = model * data or even AI performance = model * log(len(data)). Looking at the rapidly changing problem of image synthesis, it is clear that data alone could not produce the same results seen even two years ago. On the other hand, it can seem unproductive for the field as a whole to try to create another classification model that achieves a .02% increased performance on ImageNet... again and again... And this is maybe why we hear more talk in industry about focusing on the data instead of models: Industry generally faces simpler tasks with negligible improvement as of recently (regression, classification). Therefore it's more easy and valuable to increase and improve the training data. And yes, most machine learning models NEED a large training set to approximate a complex distribution. We have already known this since forever. I think the term has just recently become a pet peeve for me as a novel "catch all" solution to any problem. What are your opinions on the matter? submitted by /u/zimonitrome [link] [comments]  ( 108 min )

​ https://preview.redd.it/kzr84j69dnj91.png?width=2228&format=png&auto=webp&s=df30cd90fd3486f83e5630eaee782eaac1e0a197 More info at https://outsystems-ai-reading-group.github.io/ submitted by /u/Alex_Lemos [link] [comments]  ( 88 min )

I am planning to train a Cycle-WaveGAN at some point. I have seen people presenting audio as a just sample points, (Like it's typical to do with an image) mel-frequency spectrum, sliding STFT, etc. What is the most common/best way to represent audio in a neural network and what are the pros/cons of each? submitted by /u/andrew21w [link] [comments]  ( 94 min )

Does anyone have any experience using their ML skills in a non-profit manner on societal or environmental issues? How did you get started? Recently I’ve been feeling that most advances in tech don’t really solve the problems we really need solved. Feeling a bit disillusioned. submitted by /u/xdqz [link] [comments]  ( 121 min )

Hi all, TLDR: I try to read some semi-structured invoices and process them with a quick to use OCR tool. I found that Amazon Textract is great in Raw-text mode, just everything is so messy and all over the place. I only need to extract the products from the invoices and their quantity and price. I think it would be kind of a big headache to hard code everything such that Textract returns exactly what I need. The invoices are photographed with a cell phone camera I looked at tesseract, but I really do not want to fine tune/build my own OCR model and speed is the key. Has anyone had any experience with these kinds of OCR problems ? Ideally I would love to run it as a separate microservice on AWS/Azure and not include it in my main backend. Any help is deeply appreciated! submitted by /u/younggamech [link] [comments]  ( 89 min )

https://colah.github.io/posts/2014-03-NN-Manifolds-Topology/ mentions that neural networks learn a representation of the data so as to make the classes linearly separable. What I fail to see is how does a neural network create a separating hyperplane that separates the classes. How do we know that it creates a hyperplane? What's the math behind it? submitted by /u/JJP77 [link] [comments]  ( 92 min )

Just read Auto-Split: A General Framework of Collaborative Edge-Cloud AI by a group of Huawei researchers (https://arxiv.org/pdf/2108.13041.pdf). How feasible is it to break up the models and serve them to the edges and the cloud? If it is possible, is this task easy to implement? Does Tensorflow, PyTorch or cv.dnn have guides or APIs to achieve the task? I am speaking from the perspective of a small development team that are not experts at machine learning. I can only imagine splitting the model at a non-functional binary level, not at a functional subgraph levels. submitted by /u/zerovirus123 [link] [comments]  ( 90 min )

Company A seems great and is making me an offer tomorrow. However, company B is a "Fang" type company and the role seems particularly good for me, and that interview is in two days. I am not confident I'll pass this final round and even get an offer, but it's a bit of a dream job so I would like to take a shot at it. But of course, if it doesn't work out I want to work with company A and not end up empty handed. Is there a good way to word this? I'm assuming it's fairly common for people to be in the offer stage for multiple companies, so how do I let them know without making it sound like they are my second option? I want to come across that I want to fairly compare offers from my two top choices. Any advice? Worried I'm going to manage to blow it all :P submitted by /u/bandalorian [link] [comments]  ( 90 min )

submitted by /u/ramacastro [link] [comments]  ( 86 min )

Lincoln Laboratory Supercomputing Center dataset aims to accelerate AI research into managing and optimizing high-performance computing systems.  ( 8 min )

PhD student Pablo Leon uses machine learning to expedite research on novel battery materials, while helping newer students navigate graduate school.  ( 8 min )

Posted by Aparna Taneja, Software Engineer, and Milind Tambe, Principal Scientist, Google Research, India Research Lab The widespread availability of mobile phones has enabled non-profits to deliver critical health information to their beneficiaries in a timely manner. While advanced applications on smartphones allow for richer multimedia content and two-way communication between beneficiaries and health coaches, simpler text and voice messaging services can be effective in disseminating information to large communities, particularly those that are underserved with limited access to information and smartphones. ARMMAN1, one non-profit doing just this, is based in India with the mission of improving maternal and child health outcomes in underserved communities. Overview of ARMMAN …  ( 27 min )

Hi everyone, ​ This may be more of a software engineering question, but would still be interested in any ways people might have done this. In my project, we are currently building a system that would like to support both RL and non-RL methods for a custom simulator that has been written. I have a currently working gym env, and due to wanting to provide flexibility to other methods I have been using the same env for both non-rl and rl methods. However when wanting to use non RL methods, I'd like to be able to have the observations just be a dictionary of dictionaries instead of a dictionary of gym.env.spaces.Box(). This doesn't seem to be supported with gym, so I'd instead like to bypass the gym obs space env checker depending on which algorithm is being used. ​ Has anyone run into a similar situation, or have any idea how to do this? My current plan is to just have a non-rl env and an rl env as separate classes that both inherit from some base env that actually has the env logic, and the child RL class would inherit from gym (while the non RL env would not). But I just wanted to see if there was a way to disable gym checkers altogether submitted by /u/asdfsflhasdfa [link] [comments]  ( 106 min )

Hi, I am reading Sutton and Barto and am currently on chapter 13, policy gradients. I am looking at the policy gradient theorem - which overall is intuitive to me, however there is one thing that is slightly unclear. The definition of the state value under policy pi, is the probability of taking action a in state s, multiplied by how good it is to take this action and summed for all actions - this is the definition of the value function and theorem goes on to derive it. this is fine.. however, when discussing a specific trajectory, that is - starting in state s (s0) and going to any state 'x' in a number of steps - it is the summation of these transition probabilities that define the value of being state s under policy pi - however, one thing that confuses me is the summation over all actions. is the value of 's0' the transition probability multiplied by the value of taking that action plus the probability of taking a' in s' plus the value of s''' etc. OR is it as just described but a summation over all actions at each state as opposed to simply the transition probability alone? - sutton and barto suggest the value of s0 is the summation over all state under pi and summation over all actions at each state. Then - taking a parameterised nn policy gradient approach, the equation followed, is the (log) of the probability multiplied by some return - this takes only the action that is taken in to account for that specific state at a time step when calculating the value. can someone help clarify my confusion please, and the connection between the summation over all action in the policy gradient theorem and typical case where only the probability of the action taken is used. thank you! submitted by /u/amjass12 [link] [comments]  ( 89 min )

My background is software engineering and I've been researching reinforcement learning. From what I now understand, one of the primary use cases is with optimal control systems when there is no data available. For my use case, I have data, but it's not labeled. There are numerical methods I could use to label it, but it wouldn't be as accurate as manual labeling (which would be costly and time-consuming as well). For this reason, I have been considering the use of RL. Would it be more effective to label the data given the difficultly of RL? Additionally, my problem is a decision-based problem. If MDP's apply, does it make more sense to use RL than supervised learning? At a high level, are there cases of when I should take on the RL challenges if I have data that I can label even if the problem can be framed as an MDP? submitted by /u/FinateAI [link] [comments]  ( 92 min )

submitted by /u/Round-Ad1177 [link] [comments]  ( 87 min )

Hi all, I would gladly appreciate some feedback on the following problem. Goal: To train ryu to defeat Guile in the default difficulty with a higher probability in just 1 round. The reward function I used is [2*(176-current_opponent_hp) - (176-current_own_hp)]/176. The maximum health when round starts is 176 hp so clearly, the perfect win is when ryu doesnt take damage, the case of reward = [2(176-0) - (176-0)]/176 = 2. Stochastically, I am to train ryu to beat the round with a perfect reward score, lets say out of 10 games, almost 8 or 9 times ryu can beat with a perfect win using this reward function. The game here is Street Fighter Champion Edition II in gym retro environment. How: I used the stable baseline PPO with the following settings: n_steps = 2560 (Because a round takes 2-2.…  ( 90 min )

Our approach to aligning AGI is empirical and iterative. We are improving our AI systems’ ability to learn from human feedback and to assist humans at evaluating AI. Our goal is to build a sufficiently aligned AI system that can help us solve all other alignment problems. Introduction Our  ( 7 min )

In the AWS Deep Learning Challenge held from January 5, 2022, to March 1, 2022, participants from academia, startups, and enterprise organizations joined to test their skills and train a deep learning model of their choice using Amazon Elastic Compute Cloud (Amazon EC2) DL1 instances and Habana’s SynapseAI SDK. The EC2 DL1 instances powered by […]  ( 4 min )

The promises of artificial intelligence (AI) have been around for decades. But despite many technological advancements over the past few…  ( 13 min )

Jupyter notebooks don’t work with git by default. With nbdev2, the Jupyter+git problem has been totally solved. It provides a set of hooks which provide clean git diffs, solve most git conflicts automatically, and ensure that any remaining conflicts can be resolved entirely within the standard Jupyter notebook environment. To get started, follow the directions on Git-friendly Jupyter. Contents The Jupyter+git problem The solution The nbdev2 git merge driver The nbdev2 Jupyter save hook Background The result Postscript: other Jupyter+git tools ReviewNB An alternative solution: Jupytext nbdime The Jupyter+git problem Jupyter notebooks are a powerful tool for scientists, engineers, technical writers, students, teachers, and more. They provide an ideal notebook environment for interact…  ( 7 min )

This post is the third in a series of posts on spherical trigonometry. We first looked at the analog of the Pythagorean theorem on a sphere, then the analog of the law of cosines on a sphere. Now we look at the analog of the law of sines on a sphere. As before we denote […] Direction between two cities first appeared on John D. Cook.  ( 7 min )

The previous post looked at the analog of the Pythagorean theorem on a sphere. This post looks at the law of cosines on a sphere. Yesterday we looked at triangles on a sphere with sides a and b meeting at a right angle and hypotenuse c. Denote the angle opposite a side with the capital […] Law of cosines on a sphere first appeared on John D. Cook.  ( 5 min )

The beauty of physics is that there is usually a conserved quantity in an always-changing system, known as the constant of motion. Finding the constant of motion is important in understanding the dynamics of the system, but typically requires mathematical proficiency and manual analytical work. In this paper, we present a neural network that can simultaneously learn the dynamics of the system and the constants of motion from data. By exploiting the discovered constants of motion, it can produce better predictions on dynamics and can work on a wider range of systems than Hamiltonian-based neural networks. In addition, the training progresses of our method can be used as an indication of the number of constants of motion in a system which could be useful in studying a novel physical system.  ( 2 min )

This work presents a generative modeling approach based on successive subspace learning (SSL). Unlike most generative models in the literature, our method does not utilize neural networks to analyze the underlying source distribution and synthesize images. The resulting method, called the progressive attribute-guided extendable robust image generative (PAGER) model, has advantages in mathematical transparency, progressive content generation, lower training time, robust performance with fewer training samples, and extendibility to conditional image generation. PAGER consists of three modules: core generator, resolution enhancer, and quality booster. The core generator learns the distribution of low-resolution images and performs unconditional image generation. The resolution enhancer increases image resolution via conditional generation. Finally, the quality booster adds finer details to generated images. Extensive experiments on MNIST, Fashion-MNIST, and CelebA datasets are conducted to demonstrate generative performance of PAGER.  ( 2 min )

We study the problem of estimating precision matrices in Gaussian distributions that are multivariate totally positive of order two ($\mathrm{MTP}_2$). The precision matrix in such a distribution is an M-matrix. The problem can be formulated as a sign-constrained log-determinant program. The existing algorithms designed for solving this problem are based on the block coordinate descent method, which are computationally prohibitive in high-dimensional cases, because of the need to solve a large number of nonnegative quadratic programs. We propose a novel algorithm based on the two-metric projection method, with a well-designed search direction and variable partitioning scheme. Our algorithm reduces the computational complexity significantly in solving this problem, and its theoretical convergence is established. Experiments involving synthetic and real-world data demonstrate that our proposed algorithm is significantly more efficient, from a computational time perspective, than the state-of-the-art methods.  ( 2 min )

Accurate and unbiased examinations of skin lesions are critical for the early diagnosis and treatment of skin diseases. Visual features of skin lesions vary significantly because the images are collected from patients with different lesion colours and morphologies by using dissimilar imaging equipment. Recent studies have reported that ensembled convolutional neural networks (CNNs) are practical to classify the images for early diagnosis of skin disorders. However, the practical use of these ensembled CNNs is limited as these networks are heavyweight and inadequate for processing contextual information. Although lightweight networks (e.g., MobileNetV3 and EfficientNet) were developed to achieve parameters reduction for implementing deep neural networks on mobile devices, insufficient depth of feature representation restricts the performance. To address the existing limitations, we develop a new lite and effective neural network, namely HierAttn. The HierAttn applies a novel deep supervision strategy to learn the local and global features by using multi-stage and multi-branch attention mechanisms with only one training loss. The efficacy of HierAttn was evaluated by using the dermoscopy images dataset ISIC2019 and smartphone photos dataset PAD-UFES-20 (PAD2020). The experimental results show that HierAttn achieves the best accuracy and area under the curve (AUC) among the state-of-the-art lightweight networks. The code is available at https://github.com/anthonyweidai/HierAttn.  ( 3 min )

Next Best View computation (NBV) is a long-standing problem in robotics, and consists in identifying the next most informative sensor position(s) for reconstructing a 3D object or scene efficiently and accurately. Like most current methods, we consider NBV prediction from a depth sensor. Learning-based methods relying on a volumetric representation of the scene are suitable for path planning, but do not scale well with the size of the scene and have lower accuracy than methods using a surface-based representation. However, the latter constrain the camera to a small number of poses. To obtain the advantages of both representations, we show that we can maximize surface metrics by Monte Carlo integration over a volumetric representation. Our method scales to large scenes and handles free camera motion: It takes as input an arbitrarily large point cloud gathered by a depth sensor like Lidar systems as well as camera poses to predict NBV. We demonstrate our approach on a novel dataset made of large and complex 3D scenes.  ( 2 min )

Multi-institutional collaborations are key for learning generalizable MRI synthesis models that translate source- onto target-contrast images. To facilitate collaboration, federated learning (FL) adopts decentralized training and mitigates privacy concerns by avoiding sharing of imaging data. However, FL-trained synthesis models can be impaired by the inherent heterogeneity in the data distribution, with domain shifts evident when common or variable translation tasks are prescribed across sites. Here we introduce the first personalized FL method for MRI Synthesis (pFLSynth) to improve reliability against domain shifts. pFLSynth is based on an adversarial model that produces latents specific to individual sites and source-target contrasts, and leverages novel personalization blocks to adaptively tune the statistics and weighting of feature maps across the generator stages given latents. To further promote site specificity, partial model aggregation is employed over downstream layers of the generator while upstream layers are retained locally. As such, pFLSynth enables training of a unified synthesis model that can reliably generalize across multiple sites and translation tasks. Comprehensive experiments on multi-site datasets clearly demonstrate the enhanced performance of pFLSynth against prior federated methods in multi-contrast MRI synthesis.  ( 3 min )

Requiring less data for accurate models, few-shot learning has shown robustness and generality in many application domains. However, deploying few-shot models in untrusted environments may inflict privacy concerns, e.g., attacks or adversaries that may breach the privacy of user-supplied data. This paper studies the privacy enhancement for the few-shot learning in an untrusted environment, e.g., the cloud, by establishing a novel privacy-preserved embedding space that preserves the privacy of data and maintains the accuracy of the model. We examine the impact of various image privacy methods such as blurring, pixelization, Gaussian noise, and differentially private pixelization (DP-Pix) on few-shot image classification and propose a method that learns privacy-preserved representation through the joint loss. The empirical results show how privacy-performance trade-off can be negotiated for privacy-enhanced few-shot learning.  ( 2 min )

We study online convex optimization with constraints consisting of multiple functional constraints and a relatively simple constraint set, such as a Euclidean ball. As enforcing the constraints at each time step through projections is computationally challenging in general, we allow decisions to violate the functional constraints but aim to achieve a low regret and cumulative violation of the constraints over a horizon of $T$ time steps. First-order methods achieve an $\mathcal{O}(\sqrt{T})$ regret and an $\mathcal{O}(1)$ constraint violation, which is the best-known bound, but do not take into account the structural information of the problem. Furthermore, the existing algorithms and analysis are limited to Euclidean space. In this paper, we provide an \emph{instance-dependent} bound for online convex optimization with complex constraints obtained by a novel online primal-dual mirror-prox algorithm. Our instance-dependent regret is quantified by the total gradient variation $V_*(T)$ in the sequence of loss functions. The proposed algorithm works in \emph{general} non-Euclidean spaces and simultaneously achieves an $\mathcal{O}(\sqrt{V_*(T)})$ regret and an $\mathcal{O}(1)$ constraint violation, which is never worse than the best-known $( \mathcal{O}(\sqrt{T}), \mathcal{O}(1) )$ result and improves over previous works that applied mirror-prox-type algorithms for this problem achieving $\mathcal{O}(T^{2/3})$ regret and constraint violation. Finally, our algorithm is computationally efficient, as it only performs mirror descent steps in each iteration instead of solving a general Lagrangian minimization problem.  ( 3 min )

Representation learning has proven to be a powerful methodology in a wide variety of machine learning applications. For atmospheric dynamics, however, it has so far not been considered, arguably due to the lack of large-scale, labeled datasets that could be used for training. In this work, we show that the difficulty is benign and introduce a self-supervised learning task that defines a categorical loss for a wide variety of unlabeled atmospheric datasets. Specifically, we train a neural network on the simple yet intricate task of predicting the temporal distance between atmospheric fields from distinct but nearby times. We demonstrate that training with this task on ERA5 reanalysis leads to internal representations capturing intrinsic aspects of atmospheric dynamics. We do so by introducing a data-driven distance metric for atmospheric states. When employed as a loss function in other machine learning applications, this Atmodist distance leads to improved results compared to the classical $\ell_2$-loss. For example, for downscaling one obtains higher resolution fields that match the true statistics more closely than previous approaches and for the interpolation of missing or occluded data the AtmoDist distance leads to results that contain more realistic fine scale features. Since it is derived from observational data, AtmoDist also provides a novel perspective on atmospheric predictability.  ( 3 min )

The most popular methods for measuring importance of the variables in a black box prediction algorithm make use of synthetic inputs that combine predictor variables from multiple subjects. These inputs can be unlikely, physically impossible, or even logically impossible. As a result, the predictions for such cases can be based on data very unlike any the black box was trained on. We think that users cannot trust an explanation of the decision of a prediction algorithm when the explanation uses such values. Instead we advocate a method called Cohort Shapley that is grounded in economic game theory and unlike most other game theoretic methods, it uses only actually observed data to quantify variable importance. Cohort Shapley works by narrowing the cohort of subjects judged to be similar to a target subject on one or more features. A feature is important if using it to narrow the cohort makes a large difference to the cohort mean. We illustrate it on an algorithmic fairness problem where it is essential to attribute importance to protected variables that the model was not trained on. For every subject and every predictor variable, we can compute the importance of that predictor to the subject's predicted response or to their actual response. These values can be aggregated, for example over all Black subjects, and we propose a Bayesian bootstrap to quantify uncertainty in both individual and aggregate Shapley values.

Investment professionals rely on extrapolating company revenue into the future (i.e. revenue forecast) to approximate the valuation of scaleups (private companies in a high-growth stage) and inform their investment decision. This task is manual and empirical, leaving the forecast quality heavily dependent on the investment professionals' experiences and insights. Furthermore, financial data on scaleups is typically proprietary, costly and scarce, ruling out the wide adoption of data-driven approaches. To this end, we propose a simulation-informed revenue extrapolation (SiRE) algorithm that generates fine-grained long-term revenue predictions on small datasets and short time-series. SiRE models the revenue dynamics as a linear dynamical system (LDS), which is solved using the EM algorithm. The main innovation lies in how the noisy revenue measurements are obtained during training and inferencing. SiRE works for scaleups that operate in various sectors and provides confidence estimates. The quantitative experiments on two practical tasks show that SiRE significantly surpasses the baseline methods by a large margin. We also observe high performance when SiRE extrapolates long-term predictions from short time-series. The performance-efficiency balance and result explainability of SiRE are also validated empirically. Evaluated from the perspective of investment professionals, SiRE can precisely locate the scaleups that have a great potential return in 2 to 5 years. Furthermore, our qualitative inspection illustrates some advantageous attributes of the SiRE revenue forecasts.  ( 3 min )

In this article, for the first time, we propose a transformer network-based reinforcement learning (RL) method for power distribution network (PDN) optimization of high bandwidth memory (HBM). The proposed method can provide an optimal decoupling capacitor (decap) design to maximize the reduction of PDN self- and transfer impedance seen at multiple ports. An attention-based transformer network is implemented to directly parameterize decap optimization policy. The optimality performance is significantly improved since the attention mechanism has powerful expression to explore massive combinatorial space for decap assignments. Moreover, it can capture sequential relationships between the decap assignments. The computing time for optimization is dramatically reduced due to the reusable network on positions of probing ports and decap assignment candidates. This is because the transformer network has a context embedding process to capture meta-features including probing ports positions. In addition, the network is trained with randomly generated data sets. Therefore, without additional training, the trained network can solve new decap optimization problems. The computing time for training and data cost are critically decreased due to the scalability of the network. Thanks to its shared weight property, the network can adapt to a larger scale of problems without additional training. For verification, we compare the results with conventional genetic algorithm (GA), random search (RS), and all the previous RL-based methods. As a result, the proposed method outperforms in all the following aspects: optimality performance, computing time, and data efficiency.  ( 3 min )

COVID-19, the disease caused by the novel coronavirus (SARS-CoV-2), first emerged in Wuhan, China late in December 2019. Not long after, the virus spread worldwide and was declared a pandemic by the World Health Organization in March 2020. This caused many changes around the world and in the United States, including an educational shift towards online learning. In this paper, we seek to understand how the COVID-19 pandemic and increase in online learning impact college students' emotional wellbeing. We use several machine learning and statistical models to analyze data collected by the Faculty of Public Administration at the University of Ljubljana, Slovenia in conjunction with an international consortium of universities, other higher education institutions, and students' associations. Our results indicate that features related to students' academic life have the largest impact on their emotional wellbeing. Other important factors include students' satisfaction with their university's and government's handling of the pandemic as well as students' financial security.  ( 3 min )

In this work, we propose FedSSO, a server-side second-order optimization method for federated learning (FL). In contrast to previous works in this direction, we employ a server-side approximation for the Quasi-Newton method without requiring any training data from the clients. In this way, we not only shift the computation burden from clients to server, but also eliminate the additional communication for second-order updates between clients and server entirely. We provide theoretical guarantee for convergence of our novel method, and empirically demonstrate our fast convergence and communication savings in both convex and non-convex settings.  ( 2 min )

The current study of cell architecture of inflammation in histopathology images commonly performed for diagnosis and research purposes excludes a lot of information available on the biopsy slide. In autoimmune diseases, major outstanding research questions remain regarding which cell types participate in inflammation at the tissue level, and how they interact with each other. While these questions can be partially answered using traditional methods, artificial intelligence approaches for segmentation and classification provide a much more efficient method to understand the architecture of inflammation in autoimmune disease, holding a great promise for novel insights. In this paper, we empirically develop deep learning approaches that uses dermatomyositis biopsies of human tissue to detect and identify inflammatory cells. Our approach improves classification performance by 26% and segmentation performance by 5%. We also propose a novel post-processing autoencoder architecture that improves segmentation performance by an additional 3%.  ( 2 min )

Origin-Destination Estimation plays an important role in the era of Intelligent Transportation. Nevertheless, as a under-determined problem, OD estimation confronts many challenges from cross-space inference to non-convex, non-linear optimization. As a powerful nonlinear approximator, deep learning is an ideal data-driven method to provide a novel perspective for OD estimation. However, viewing multi-interval traffic counts as spatial-temporal inputs and OD matrix as heterogeneous graph-structured output, the existing neural network architecture is not suitable for the cross-space inference problem thus a new deep learning architecture is needed. We propose CGAME, short for cyclic graph attentive matching encoder, including bi-directional encoder-decoder networks and a novel graph matcher in the hidden layer with double-layer attention mechanism. It realizes effective information exchange between the forward networks and backward networks and establishes coupling relations across underlying feature space. The proposed model achieves state-of-the-art compared with baselines in the designed experiments and offers a paradigm for inference tasks across representation space.  ( 2 min )

Given a graph learning task, such as link prediction, on a new graph dataset, how can we automatically select the best method as well as its hyperparameters (collectively called a model)? Model selection for graph learning has been largely ad hoc. A typical approach has been to apply popular methods to new datasets, but this is often suboptimal. On the other hand, systematically comparing models on the new graph quickly becomes too costly, or even impractical. In this work, we develop the first meta-learning approach for automatic graph machine learning, called AutoGML, which utilizes the prior performances of existing methods on a wide variety of benchmark graph datasets to automatically select an effective model for the new graph, without any model training or evaluations. To capture the similarity across graphs from different domains, we introduce specialized meta-graph features that quantify the structural characteristics of a graph. Then we design a meta-graph that represents the relations among models and graphs, and develop a graph meta-learner operating on the meta-graph, which estimates the relevance of each model to different graphs. Through extensive experiments, we show that using AutoGML to select a method for the new graph significantly outperforms consistently applying popular methods as well as several existing meta-learners, while being extremely fast at test time.  ( 3 min )

Labeling data is often expensive and time-consuming, especially for tasks such as object detection and instance segmentation, which require dense labeling of the image. While few-shot object detection is about training a model on novel (unseen) object classes with little data, it still requires prior training on many labeled examples of base (seen) classes. On the other hand, self-supervised methods aim at learning representations from unlabeled data which transfer well to downstream tasks such as object detection. Combining few-shot and self-supervised object detection is a promising research direction. In this survey, we review and characterize the most recent approaches on few-shot and self-supervised object detection. Then, we give our main takeaways and discuss future research directions. Project page at https://gabrielhuang.github.io/fsod-survey/  ( 2 min )

A central issue addressed by the rapidly growing research area of eXplainable Artificial Intelligence (XAI) is to provide methods to give explanations for the behaviours of Machine Learning (ML) non-interpretable models after the training. Recently, it is becoming more and more evident that new directions to create better explanations should take into account what a good explanation is to a human user. This paper suggests taking advantage of developing an XAI framework that allows producing multiple explanations for the response of image a classification system in terms of potentially different middle-level input features. To this end, we propose an XAI framework able to construct explanations in terms of input features extracted by auto-encoders. We start from the hypothesis that some autoencoders, relying on standard data representation approaches, could extract more salient and understandable input properties, which we call here \textit{Middle-Level input Features} (MLFs), for a user with respect to raw low-level features. Furthermore, extracting different types of MLFs through different type of autoencoders, different types of explanations for the same ML system behaviour can be returned. We experimentally tested our method on two different image datasets and using three different types of MLFs. The results are encouraging. Although our novel approach was tested in the context of image classification, it can potentially be used on other data types to the extent that auto-encoders to extract humanly understandable representations can be applied.  ( 3 min )

Federated Learning (FL) is a variant of distributed learning where edge devices collaborate to learn a model without sharing their data with the central server or each other. We refer to the process of training multiple independent models simultaneously in a federated setting using a common pool of clients as multi-model FL. In this work, we propose two variants of the popular FedAvg algorithm for multi-model FL, with provable convergence guarantees. We further show that for the same amount of computation, multi-model FL can have better performance than training each model separately. We supplement our theoretical results with experiments in strongly convex, convex, and non-convex settings.  ( 2 min )

In this paper, we propose a Classification Confidence Network (CLCNet) that can determine whether the classification model classifies input samples correctly. It can take a classification result in the form of vector in any dimension, and return a confidence score as output, which represents the probability of an instance being classified correctly. We can utilize CLCNet in a simple cascade structure system consisting of several SOTA (state-of-the-art) classification models, and our experiments show that the system can achieve the following advantages: 1. The system can customize the average computation requirement (FLOPs) per image while inference. 2. Under the same computation requirement, the performance of the system can exceed any model that has identical structure with the model in the system, but different in size. In fact, this is a new type of ensemble modeling. Like general ensemble modeling, it can achieve higher performance than single classification model, yet our system requires much less computation than general ensemble modeling. We have uploaded our code to a github repository: https://github.com/yaoching0/CLCNet-Rethinking-of-Ensemble-Modeling.  ( 2 min )

Deep learning techniques have shown promising results in image compression, with competitive bitrate and image reconstruction quality from compressed latent. However, while image compression has progressed towards a higher peak signal-to-noise ratio (PSNR) and fewer bits per pixel (bpp), their robustness to adversarial images has never received deliberation. In this work, we, for the first time, investigate the robustness of image compression systems where imperceptible perturbation of input images can precipitate a significant increase in the bitrate of their compressed latent. To characterize the robustness of state-of-the-art learned image compression, we mount white-box and black-box attacks. Our white-box attack employs fast gradient sign method on the entropy estimation of the bitstream as its bitrate approximation. We propose DCT-Net simulating JPEG compression with architectural simplicity and lightweight training as the substitute in the black-box attack and enable fast adversarial transferability. Our results on six image compression models, each with six different bitrate qualities (thirty-six models in total), show that they are surprisingly fragile, where the white-box attack achieves up to 56.326x and black-box 1.947x bpp change. To improve robustness, we propose a novel compression architecture factorAtn which incorporates attention modules and a basic factorized entropy model, resulting in a promising trade-off between the rate-distortion performance and robustness to adversarial attacks that surpasses existing learned image compressors.  ( 3 min )

This paper formally models the strategic repeated interactions between a system, comprising of a machine learning (ML) model and associated explanation method, and an end-user who is seeking a prediction/label and its explanation for a query/input, by means of game theory. In this game, a malicious end-user must strategically decide when to stop querying and attempt to compromise the system, while the system must strategically decide how much information (in the form of noisy explanations) it should share with the end-user and when to stop sharing, all without knowing the type (honest/malicious) of the end-user. This paper formally models this trade-off using a continuous-time stochastic Signaling game framework and characterizes the Markov perfect equilibrium state within such a framework.  ( 2 min )

This paper tackles the problem of efficient video recognition. In this area, video transformers have recently dominated the efficiency (top-1 accuracy vs FLOPs) spectrum. At the same time, there have been some attempts in the image domain which challenge the necessity of the self-attention operation within the transformer architecture, advocating the use of simpler approaches for token mixing. However, there are no results yet for the case of video recognition, where the self-attention operator has a significantly higher impact (compared to the case of images) on efficiency. To address this gap, in this paper, we make the following contributions: (a) we construct a highly efficient \& accurate attention-free block based on the shift operator, coined Affine-Shift block, specifically designed to approximate as closely as possible the operations in the MHSA block of a Transformer layer. Based on our Affine-Shift block, we construct our Affine-Shift Transformer and show that it already outperforms all existing shift/MLP--based architectures for ImageNet classification. (b) We extend our formulation in the video domain to construct Video Affine-Shift Transformer (VAST), the very first purely attention-free shift-based video transformer. (c) We show that VAST significantly outperforms recent state-of-the-art transformers on the most popular action recognition benchmarks for the case of models with low computational and memory footprint. Code will be made available.  ( 2 min )

We propose simple estimators for mediation analysis and dynamic treatment effects over short horizons, which preserve the nonlinearity, dependence, and effect modification of identification theory. We allow treatments, mediators, and covariates to be discrete or continuous in general spaces. Across this broad variety of data settings, the estimators have closed form solutions in terms of kernel matrix operations due to our algorithmic innovation: sequential mean embedding of the mediator and covariate conditional distributions given a hypothetical treatment sequence. The simple estimators have strong guarantees. For the continuous treatment case, we prove uniform consistency with finite sample rates that match the minimax optimal rate for standard kernel ridge regression. For the discrete treatment case, we prove $n^{-1/2}$ consistency, finite sample Gaussian approximation, and semiparametric efficiency. We extend the analysis to incremental effects and counterfactual distributions, identifying and estimating new causal estimands. In nonlinear simulations with many covariates, we demonstrate state-of-the-art performance. We estimate mediated and dynamic treatment effects of the US Job Corps program for disadvantaged youth, and share a cleaned data set that may serve as a benchmark in future work.  ( 3 min )

Technique of emotion recognition enables computers to classify human affective states into discrete categories. However, the emotion may fluctuate instead of maintaining a stable state even within a short time interval. There is also a difficulty to take the full use of the EEG spatial distribution due to its 3-D topology structure. To tackle the above issues, we proposed a locally temporal-spatial pattern learning graph attention network (LTS-GAT) in the present study. In the LTS-GAT, a divide-and-conquer scheme was used to examine local information on temporal and spatial dimensions of EEG patterns based on the graph attention mechanism. A dynamical domain discriminator was added to improve the robustness against inter-individual variations of the EEG statistics to learn robust EEG feature representations across different participants. We evaluated the LTS-GAT on two public datasets for affective computing studies under individual-dependent and independent paradigms. The effectiveness of LTS-GAT model was demonstrated when compared to other existing mainstream methods. Moreover, visualization methods were used to illustrate the relations of different brain regions and emotion recognition. Meanwhile, the weights of different time segments were also visualized to investigate emotion sparsity problems.  ( 2 min )

We present a self-supervised and self-calibrating multi-shot approach to imaging through atmospheric turbulence, called TurbuGAN. Our approach requires no paired training data, adapts itself to the distribution of the turbulence, leverages domain-specific data priors, and can generalize from tens to thousands of measurements. We achieve such functionality through an adversarial sensing framework adapted from CryoGAN, which uses a discriminator network to match the distributions of captured and simulated measurements. Our framework builds on CryoGAN by (1) generalizing the forward measurement model to incorporate physically accurate and computationally efficient models for light propagation through anisoplanatic turbulence, (2) enabling adaptation to slightly misspecified forward models, and (3) leveraging domain-specific prior knowledge using pretrained generative networks, when available. We validate TurbuGAN on both computationally simulated and experimentally captured images distorted with anisoplanatic turbulence.  ( 2 min )

This paper reports a reduced-order modeling framework of bladed disks on a rotating shaft to simulate the vibration signature of faults like cracks in different components aiming towards simulated data-driven machine learning. We have employed lumped and one-dimensional analytical models of the subcomponents for better insight into the complex dynamic response. The framework seeks to address some of the challenges encountered in analyzing and optimizing fault detection and identification schemes for health monitoring of rotating turbomachinery, including aero-engines. We model the bladed disks and shafts by combining lumped elements and one-dimensional finite elements, leading to a coupled system. The simulation results are in good agreement with previously published data. We model the cracks in a blade analytically with their effective reduced stiffness approximation. Multiple types of faults are modeled, including cracks in the blades of single and two-stage bladed disks, Fan Blade Off (FBO), and Foreign Object Damage (FOD). We have applied aero-engine operational loading conditions to simulate realistic scenarios of online health monitoring. The proposed reduced-order simulation framework will have applications in probabilistic signal modeling, machine learning toward fault signature identification, and parameter estimation with measured vibration signals.  ( 3 min )

Binary stars undergo a variety of interactions and evolutionary phases, critical for predicting and explaining observed properties. Binary population synthesis with full stellar-structure and evolution simulations are computationally expensive requiring a large number of mass-transfer sequences. The recently developed binary population synthesis code POSYDON incorporates grids of MESA binary star simulations which are then interpolated to model large-scale populations of massive binaries. The traditional method of computing a high-density rectilinear grid of simulations is not scalable for higher-dimension grids, accounting for a range of metallicities, rotation, and eccentricity. We present a new active learning algorithm, psy-cris, which uses machine learning in the data-gathering process to adaptively and iteratively select targeted simulations to run, resulting in a custom, high-performance training set. We test psy-cris on a toy problem and find the resulting training sets require fewer simulations for accurate classification and regression than either regular or randomly sampled grids. We further apply psy-cris to the target problem of building a dynamic grid of MESA simulations, and we demonstrate that, even without fine tuning, a simulation set of only $\sim 1/4$ the size of a rectilinear grid is sufficient to achieve the same classification accuracy. We anticipate further gains when algorithmic parameters are optimized for the targeted application. We find that optimizing for classification only may lead to performance losses in regression, and vice versa. Lowering the computational cost of producing grids will enable future versions of POSYDON to cover more input parameters while preserving interpolation accuracies.  ( 3 min )

This work tackles the problem of characterizing and understanding the decision boundaries of neural networks with piecewise linear non-linearity activations. We use tropical geometry, a new development in the area of algebraic geometry, to characterize the decision boundaries of a simple network of the form (Affine, ReLU, Affine). Our main finding is that the decision boundaries are a subset of a tropical hypersurface, which is intimately related to a polytope formed by the convex hull of two zonotopes. The generators of these zonotopes are functions of the network parameters. This geometric characterization provides new perspectives to three tasks. (i) We propose a new tropical perspective to the lottery ticket hypothesis, where we view the effect of different initializations on the tropical geometric representation of a network's decision boundaries. (ii) Moreover, we propose new tropical based optimization reformulations that directly influence the decision boundaries of the network for the task of network pruning. (iii) At last, we discuss the reformulation of the generation of adversarial attacks in a tropical sense. We demonstrate that one can construct adversaries in a new tropical setting by perturbing a specific set of decision boundaries by perturbing a set of parameters in the network.  ( 3 min )

We present formulation and open-source tools to achieve in-material model predictive control of sensor/actuator systems using learned forward kinematics and on-device computation. Microcontroller units (MCUs) that compute the prediction and control task while colocated with the sensors and actuators enable in-material untethered behaviors. In this approach, small parameter size neural network models learn forward kinematics offline. Our open-source compiler, nn4mc, generates code to offload these predictions onto MCUs. A Newton-Raphson solver then computes the control input in real time. We first benchmark this nonlinear control approach against a PID controller on a mass-spring-damper simulation. We then study experimental results on two experimental rigs with different sensing, actuation and computational hardware: a tendon-based platform with embedded LightLace sensors and a HASEL-based platform with magnetic sensors. Experimental results indicate effective high-bandwidth tracking of reference paths (greater than or equal to 120 Hz) with a small memory footprint (less than or equal to 6.4% of flash memory). The measured path following error does not exceed 2mm in the tendon-based platform. The simulated path following error does not exceed 1mm in the HASEL-based platform. The mean power consumption of this approach in an ARM Cortex-M4f device is 45.4 mW. This control approach is also compatible with Tensorflow Lite models and equivalent on-device code. In-material intelligence enables a new class of composites that infuse autonomy into structures and systems with refined artificial proprioception.  ( 3 min )

Federated learning (FL) is an emerging paradigm for training machine learning models using possibly private data available at edge devices. The distributed operation of FL gives rise to challenges that are not encountered in centralized machine learning, including the need to preserve the privacy of the local datasets, and the communication load due to the repeated exchange of updated models. These challenges are often tackled individually via techniques that induce some distortion on the updated models, e.g., local differential privacy (LDP) mechanisms and lossy compression. In this work we propose a method coined joint privacy enhancement and quantization (JoPEQ), which jointly implements lossy compression and privacy enhancement in FL settings. In particular, JoPEQ utilizes vector quantization based on random lattice, a universal compression technique whose byproduct distortion is statistically equivalent to additive noise. This distortion is leveraged to enhance privacy by augmenting the model updates with dedicated multivariate privacy preserving noise. We show that JoPEQ simultaneously quantizes data according to a required bit-rate while holding a desired privacy level, without notably affecting the utility of the learned model. This is shown via analytical LDP guarantees, distortion and convergence bounds derivation, and numerical studies. Finally, we empirically assert that JoPEQ demolishes common attacks known to exploit privacy leakage.  ( 2 min )

Machine and deep learning survival models demonstrate similar or even improved time-to-event prediction capabilities compared to classical statistical learning methods yet are too complex to be interpreted by humans. Several model-agnostic explanations are available to overcome this issue; however, none directly explain the survival function prediction. In this paper, we introduce SurvSHAP(t), the first time-dependent explanation that allows for interpreting survival black-box models. It is based on SHapley Additive exPlanations with solid theoretical foundations and a broad adoption among machine learning practitioners. The proposed methods aim to enhance precision diagnostics and support domain experts in making decisions. Experiments on synthetic and medical data confirm that SurvSHAP(t) can detect variables with a time-dependent effect, and its aggregation is a better determinant of the importance of variables for a prediction than SurvLIME. SurvSHAP(t) is model-agnostic and can be applied to all models with functional output. We provide an accessible implementation of time-dependent explanations in Python at this http URL .  ( 2 min )

The countermeasure (CM) model is developed to protect ASV systems from spoof attacks and prevent resulting personal information leakage in Automatic Speaker Verification (ASV) system. Based on practicality and security considerations, the CM model is usually deployed on edge devices, which have more limited computing resources and storage space than cloud-based systems, confining the model size under a limitation. To better trade off the CM model sizes and performance, we proposed an adversarial speaker distillation method, which is an improved version of knowledge distillation method combined with generalized end-to-end (GE2E) pre-training and adversarial fine-tuning. In the evaluation phase of the ASVspoof 2021 Logical Access task, our proposed adversarial speaker distillation ResNetSE (ASD-ResNetSE) model reaches 0.2695 min t-DCF and 3.54\% EER. ASD-ResNetSE only used 22.5\% of parameters and 19.4\% of multiply and accumulate operands of ResNetSE model.  ( 2 min )

Designing Deep Neural Networks (DNNs) running on edge hardware remains a challenge. Standard designs have been adopted by the community to facilitate the deployment of Neural Network models. However, not much emphasis is put on adapting the network topology to fit hardware constraints. In this paper, we adapt one of the most widely used architectures for mobile hardware platforms, MobileNetV2, and study the impact of changing its topology and applying post-training quantization. We discuss the impact of the adaptations and the deployment of the model on an embedded hardware platform for face detection.  ( 2 min )

Vision Transformers (ViTs) have underpinned the recent breakthroughs in computer vision. However, designing the architectures of ViTs is laborious and heavily relies on expert knowledge. To automate the design process and incorporate deployment flexibility, one-shot neural architecture search decouples the supernet training and architecture specialization for diverse deployment scenarios. To cope with an enormous number of sub-networks in the supernet, existing methods treat all architectures equally important and randomly sample some of them in each update step during training. During architecture search, these methods focus on finding architectures on the Pareto frontier of performance and resource consumption, which forms a gap between training and deployment. In this paper, we devise a simple yet effective method, called FocusFormer, to bridge such a gap. To this end, we propose to learn an architecture sampler to assign higher sampling probabilities to those architectures on the Pareto frontier under different resource constraints during supernet training, making them sufficiently optimized and hence improving their performance. During specialization, we can directly use the well-trained architecture sampler to obtain accurate architectures satisfying the given resource constraint, which significantly improves the search efficiency. Extensive experiments on CIFAR-100 and ImageNet show that our FocusFormer is able to improve the performance of the searched architectures while significantly reducing the search cost. For example, on ImageNet, our FocusFormer-Ti with 1.4G FLOPs outperforms AutoFormer-Ti by 0.5% in terms of the Top-1 accuracy.  ( 3 min )

This paper addresses the task of explaining anomalous predictions of a black-box regression model. When using a black-box model, such as one to predict building energy consumption from many sensor measurements, we often have a situation where some observed samples may significantly deviate from their prediction. It may be due to a sub-optimal black-box model, or simply because those samples are outliers. In either case, one would ideally want to compute a ``responsibility score'' indicative of the extent to which an input variable is responsible for the anomalous output. In this work, we formalize this task as a statistical inverse problem: Given model deviation from the expected value, infer the responsibility score of each of the input variables. We propose a new method called likelihood compensation (LC), which is founded on the likelihood principle and computes a correction to each input variable. To the best of our knowledge, this is the first principled framework that computes a responsibility score for real valued anomalous model deviations. We apply our approach to a real-world building energy prediction task and confirm its utility based on expert feedback.  ( 2 min )

When studying unconstrained behaviour and allowing mice to leave their cage to navigate a complex labyrinth, the mice exhibit foraging behaviour in the labyrinth searching for rewards, returning to their home cage now and then, e.g. to drink. Surprisingly, when executing such a ``home run'', the mice do not follow the exact reverse path, in fact, the entry path and home path have very little overlap. Recent work proposed a hierarchical active inference model for navigation, where the low level model makes inferences about hidden states and poses that explain sensory inputs, whereas the high level model makes inferences about moving between locations, effectively building a map of the environment. However, using this ``map'' for planning, only allows the agent to find trajectories that it previously explored, far from the observed mice's behaviour. In this paper, we explore ways of incorporating before-unvisited paths in the planning algorithm, by using the low level generative model to imagine potential, yet undiscovered paths. We demonstrate a proof of concept in a grid-world environment, showing how an agent can accurately predict a new, shorter path in the map leading to its starting point, using a generative model learnt from pixel-based observations.  ( 2 min )

Air pollution monitoring platforms play a very important role in preventing and mitigating the effects of pollution. Recent advances in the field of graph signal processing have made it possible to describe and analyze air pollution monitoring networks using graphs. One of the main applications is the reconstruction of the measured signal in a graph using a subset of sensors. Reconstructing the signal using information from sensor neighbors can help improve the quality of network data, examples are filling in missing data with correlated neighboring nodes, or correcting a drifting sensor with neighboring sensors that are more accurate. This paper compares the use of various types of graph signal reconstruction methods applied to real data sets of Spanish air pollution reference stations. The methods considered are Laplacian interpolation, graph signal processing low-pass based graph signal reconstruction, and kernel-based graph signal reconstruction, and are compared on actual air pollution data sets measuring O3, NO2, and PM10. The ability of the methods to reconstruct the signal of a pollutant is shown, as well as the computational cost of this reconstruction. The results indicate the superiority of methods based on kernel-based graph signal reconstruction, as well as the difficulties of the methods to scale in an air pollution monitoring network with a large number of low-cost sensors. However, we show that scalability can be overcome with simple methods, such as partitioning the network using a clustering algorithm.  ( 3 min )

In this paper we propose a lightning fast graph embedding method called one-hot graph encoder embedding. It has a linear computational complexity and the capacity to process billions of edges within minutes on standard PC -- making it an ideal candidate for huge graph processing. It is applicable to either adjacency matrix or graph Laplacian, and can be viewed as a transformation of the spectral embedding. Under random graph models, the graph encoder embedding is approximately normally distributed per vertex, and asymptotically converges to its mean. We showcase three applications: vertex classification, vertex clustering, and graph bootstrap. In every case, the graph encoder embedding exhibits unrivalled computational advantages.  ( 2 min )

Federated learning (FL) is a decentralized method enabling hospitals to collaboratively learn a model without sharing private patient data for training. In FL, participant hospitals periodically exchange training results rather than training samples with a central server. However, having access to model parameters or gradients can expose private training data samples. To address this challenge, we adopt secure multiparty computation (SMC) to establish a privacy-preserving federated learning framework. In our proposed method, the hospitals are divided into clusters. After local training, each hospital splits its model weights among other hospitals in the same cluster such that no single hospital can retrieve other hospitals' weights on its own. Then, all hospitals sum up the received weights, sending the results to the central server. Finally, the central server aggregates the results, retrieving the average of models' weights and updating the model without having access to individual hospitals' weights. We conduct experiments on a publicly available repository, The Cancer Genome Atlas (TCGA). We compare the performance of the proposed framework with differential privacy and federated averaging as the baseline. The results reveal that compared to differential privacy, our framework can achieve higher accuracy with no privacy leakage risk at a cost of higher communication overhead.  ( 3 min )

Predicting students' academic performance is one of the key tasks of educational data mining (EDM). Traditionally, the high forecasting quality of such models was deemed critical. More recently, the issues of fairness and discrimination w.r.t. protected attributes, such as gender or race, have gained attention. Although there are several fairness-aware learning approaches in EDM, a comparative evaluation of these measures is still missing. In this paper, we evaluate different group fairness measures for student performance prediction problems on various educational datasets and fairness-aware learning models. Our study shows that the choice of the fairness measure is important, likewise for the choice of the grade threshold.  ( 2 min )

Deep learning (DL) models have provided state-of-the-art performance in various medical imaging benchmarking challenges, including the Brain Tumor Segmentation (BraTS) challenges. However, the task of focal pathology multi-compartment segmentation (e.g., tumor and lesion sub-regions) is particularly challenging, and potential errors hinder translating DL models into clinical workflows. Quantifying the reliability of DL model predictions in the form of uncertainties could enable clinical review of the most uncertain regions, thereby building trust and paving the way toward clinical translation. Several uncertainty estimation methods have recently been introduced for DL medical image segmentation tasks. Developing scores to evaluate and compare the performance of uncertainty measures will assist the end-user in making more informed decisions. In this study, we explore and evaluate a score developed during the BraTS 2019 and BraTS 2020 task on uncertainty quantification (QU-BraTS) and designed to assess and rank uncertainty estimates for brain tumor multi-compartment segmentation. This score (1) rewards uncertainty estimates that produce high confidence in correct assertions and those that assign low confidence levels at incorrect assertions, and (2) penalizes uncertainty measures that lead to a higher percentage of under-confident correct assertions. We further benchmark the segmentation uncertainties generated by 14 independent participating teams of QU-BraTS 2020, all of which also participated in the main BraTS segmentation task. Overall, our findings confirm the importance and complementary value that uncertainty estimates provide to segmentation algorithms, highlighting the need for uncertainty quantification in medical image analyses. Finally, in favor of transparency and reproducibility, our evaluation code is made publicly available at: https://github.com/RagMeh11/QU-BraTS.

Terahertz ultra-massive multiple-input multiple-output (THz UM-MIMO) is envisioned as one of the key enablers of 6G wireless systems. Due to the joint effect of its array aperture and small wavelength, the near-field region of THz UM-MIMO is greatly enlarged. The high-dimensional channel of such systems thus consists of a stochastic mixture of far and near fields, which renders channel estimation extremely challenging. Previous works based on uni-field assumptions cannot capture the hybrid far- and near-field features, thus suffering significant performance loss. This motivates us to consider hybrid-field channel estimation. We draw inspirations from fixed point theory to develop an efficient deep learning based channel estimator with adaptive complexity and linear convergence guarantee. Built upon classic orthogonal approximate message passing, we transform each iteration into a contractive mapping, comprising a closed-form linear estimator and a neural network based non-linear estimator. A major algorithmic innovation involves applying fixed point iteration to compute the channel estimate while modeling neural networks with arbitrary depth and adapting to the hybrid-field channel conditions. Simulation results verify our theoretical analysis and show significant performance gains over state-of-the-art approaches in the estimation accuracy and convergence rate.

Many modern applications of the artificial neural networks ensue large number of layers making traditional digital implementations increasingly complex. Optical neural networks offer parallel processing at high bandwidth, but have the challenge of noise accumulation. We propose here a new type of neural networks using stochastic resonances as an inherent part of the architecture and demonstrate a possibility of significant reduction of the required number of neurons for a given performance accuracy. We also show that such a neural network is more robust against the impact of noise.

A deep neural network (DNN) is trained to estimate the speed of a car driving in an urban area using as input a stream of measurements from a low-cost six-axis inertial measurement unit (IMU). Three hours of data was collected by driving through the city of Ashdod, Israel in a car equipped with a global navigation satellite system (GNSS) real time kinematic (RTK) positioning device and a synchronized IMU. Ground truth labels for the car speed were calculated using the position measurements obtained at the high rate of 50 Hz. A DNN architecture with long short-term memory layers is proposed to enable high-frequency speed estimation that accounts for previous inputs history and the nonlinear relation between speed, acceleration and angular velocity. A simplified aided dead reckoning localization scheme is formulated to assess the trained model which provides the speed pseudo-measurement. The trained model is shown to substantially improve the position accuracy during a 4 minutes drive without the use of GNSS position updates.

Deep learning architectures have achieved promising results in different areas (e.g., medicine, agriculture, and security). However, using those powerful techniques in many real applications becomes challenging due to the large labeled collections required during training. Several works have pursued solutions to overcome it by proposing strategies that can learn more for less, e.g., weakly and semi-supervised learning approaches. As these approaches do not usually address memorization and sensitivity to adversarial examples, this paper presents three deep metric learning approaches combined with Mixup for incomplete-supervision scenarios. We show that some state-of-the-art approaches in metric learning might not work well in such scenarios. Moreover, the proposed approaches outperform most of them in different datasets.

We study offline reinforcement learning under a novel model called strategic MDP, which characterizes the strategic interactions between a principal and a sequence of myopic agents with private types. Due to the bilevel structure and private types, strategic MDP involves information asymmetry between the principal and the agents. We focus on the offline RL problem, where the goal is to learn the optimal policy of the principal concerning a target population of agents based on a pre-collected dataset that consists of historical interactions. The unobserved private types confound such a dataset as they affect both the rewards and observations received by the principal. We propose a novel algorithm, Pessimistic policy Learning with Algorithmic iNstruments (PLAN), which leverages the ideas of instrumental variable regression and the pessimism principle to learn a near-optimal principal's policy in the context of general function approximation. Our algorithm is based on the critical observation that the principal's actions serve as valid instrumental variables. In particular, under a partial coverage assumption on the offline dataset, we prove that PLAN outputs a $1 / \sqrt{K}$-optimal policy with $K$ being the number of collected trajectories. We further apply our framework to some special cases of strategic MDP, including strategic regression, strategic bandit, and noncompliance in recommendation systems.

Great advances in deep neural networks (DNNs) have led to state-of-the-art performance on a wide range of tasks. However, recent studies have shown that DNNs are vulnerable to adversarial attacks, which have brought great concerns when deploying these models to safety-critical applications such as autonomous driving. Different defense approaches have been proposed against adversarial attacks, including: a) empirical defenses, which can usually be adaptively attacked again without providing robustness certification; and b) certifiably robust approaches, which consist of robustness verification providing the lower bound of robust accuracy against any attacks under certain conditions and corresponding robust training approaches. In this paper, we systematize certifiably robust approaches and related practical and theoretical implications and findings. We also provide the first comprehensive benchmark on existing robustness verification and training approaches on different datasets. In particular, we 1) provide a taxonomy for the robustness verification and training approaches, as well as summarize the methodologies for representative algorithms, 2) reveal the characteristics, strengths, limitations, and fundamental connections among these approaches, 3) discuss current research progresses, theoretical barriers, main challenges, and future directions for certifiably robust approaches for DNNs, and 4) provide an open-sourced unified platform to evaluate 20+ representative certifiably robust approaches.

Human intelligence is able to first learn some basic skills for solving basic problems and then assemble such basic skills into complex skills for solving complex or new problems. For example, the basic skills ``dig hole,'' ``put tree,'' ``backfill'' and ``watering'' compose a complex skill ``plant a tree''. Besides, some basic skills can be reused for solving other problems. For example, the basic skill ``dig hole'' not only can be used for planting a tree, but also can be used for mining treasures, building a drain, or landfilling. The ability to learn basic skills and reuse them for various tasks is very important for humans because it helps to avoid learning too many skills for solving each individual task, and makes it possible to solve a compositional number of tasks by learning just a few number of basic skills, which saves a considerable amount of memory and computation in the human brain. We believe that machine intelligence should also capture the ability of learning basic skills and reusing them by composing into complex skills. In computer science language, each basic skill is a ``module'', which is a reusable network of a concrete meaning and performs a specific basic operation. The modules are assembled into a bigger ``model'' for doing a more complex task. The assembling procedure is adaptive to the input or task, i.e., for a given task, the modules should be assembled into the most suitable model for solving the task. As a result, different inputs or tasks could have different assembled models, which enables self-assembling AI. In this work, we propose Modularized Adaptive Neural Architecture Search (MANAS) to demonstrate the above idea. Experiments on different datasets show that the adaptive architecture assembled by MANAS outperforms static global architectures. Further experiments and empirical analysis provide insights to the effectiveness of MANAS.

Systematic development of accurate density functionals has been a decades-long challenge for scientists. Despite the emerging application of machine learning (ML) in approximating functionals, the resulting ML functionals usually contain more than tens of thousands parameters, which makes a huge gap in the formulation with the conventional human-designed symbolic functionals. We propose a new framework, Symbolic Functional Evolutionary Search (SyFES), that automatically constructs accurate functionals in the symbolic form, which is more explainable to humans, cheaper to evaluate, and easier to integrate to existing density functional theory codes than other ML functionals. We first show that without prior knowledge, SyFES reconstructed a known functional from scratch. We then demonstrate that evolving from an existing functional $\omega$B97M-V, SyFES found a new functional, GAS22 (Google Accelerated Science 22), that performs better for the majority of molecular types in the test set of Main Group Chemistry Database (MGCDB84). Our framework opens a new direction in leveraging computing power for the systematic development of symbolic density functionals.

Active sensing and planning in unknown, cluttered environments is an open challenge for robots intending to provide home service, search and rescue, narrow-passage inspection, and medical assistance. Although many active sensing methods exist, they often consider open spaces, assume known settings, or mostly do not generalize to real-world scenarios. We present the active neural sensing approach that generates the kinematically feasible viewpoint sequences for the robot manipulator with an in-hand camera to gather the minimum number of observations needed to reconstruct the underlying environment. Our framework actively collects the visual RGBD observations, aggregates them into scene representation, and performs object shape inference to avoid unnecessary robot interactions with the environment. We train our approach on synthetic data with domain randomization and demonstrate its successful execution via sim-to-real transfer in reconstructing narrow, covered, real-world cabinet environments cluttered with unknown objects. The natural cabinet scenarios impose significant challenges for robot motion and scene reconstruction due to surrounding obstacles and low ambient lighting conditions. However, despite unfavorable settings, our method exhibits high performance compared to its baselines in terms of various environment reconstruction metrics, including planning speed, the number of viewpoints, and overall scene coverage.

Contrastively trained language-image models such as CLIP, ALIGN, and BASIC have demonstrated unprecedented robustness to multiple challenging natural distribution shifts. Since these language-image models differ from previous training approaches in several ways, an important question is what causes the large robustness gains. We answer this question via a systematic experimental investigation. Concretely, we study five different possible causes for the robustness gains: (i) the training set size, (ii) the training distribution, (iii) language supervision at training time, (iv) language supervision at test time, and (v) the contrastive loss function. Our experiments show that the more diverse training distribution is the main cause for the robustness gains, with the other factors contributing little to no robustness. Beyond our experimental results, we also introduce ImageNet-Captions, a version of ImageNet with original text annotations from Flickr, to enable further controlled experiments of language-image training.

The Lasso is a method for high-dimensional regression, which is now commonly used when the number of covariates $p$ is of the same order or larger than the number of observations $n$. Classical asymptotic normality theory does not apply to this model due to two fundamental reasons: $(1)$ The regularized risk is non-smooth; $(2)$ The distance between the estimator $\widehat{\boldsymbol{\theta}}$ and the true parameters vector $\boldsymbol{\theta}^*$ cannot be neglected. As a consequence, standard perturbative arguments that are the traditional basis for asymptotic normality fail. On the other hand, the Lasso estimator can be precisely characterized in the regime in which both $n$ and $p$ are large and $n/p$ is of order one. This characterization was first obtained in the case of Gaussian designs with i.i.d. covariates: here we generalize it to Gaussian correlated designs with non-singular covariance structure. This is expressed in terms of a simpler ``fixed-design'' model. We establish non-asymptotic bounds on the distance between the distribution of various quantities in the two models, which hold uniformly over signals $\boldsymbol{\theta}^*$ in a suitable sparsity class and over values of the regularization parameter. As an application, we study the distribution of the debiased Lasso and show that a degrees-of-freedom correction is necessary for computing valid confidence intervals.

Breakthroughs in transformer-based models have revolutionized not only the NLP field, but also vision and multimodal systems. However, although visualization and interpretability tools have become available for NLP models, internal mechanisms of vision and multimodal transformers remain largely opaque. With the success of these transformers, it is increasingly critical to understand their inner workings, as unraveling these black-boxes will lead to more capable and trustworthy models. To contribute to this quest, we propose VL-InterpreT, which provides novel interactive visualizations for interpreting the attentions and hidden representations in multimodal transformers. VL-InterpreT is a task agnostic and integrated tool that (1) tracks a variety of statistics in attention heads throughout all layers for both vision and language components, (2) visualizes cross-modal and intra-modal attentions through easily readable heatmaps, and (3) plots the hidden representations of vision and language tokens as they pass through the transformer layers. In this paper, we demonstrate the functionalities of VL-InterpreT through the analysis of KD-VLP, an end-to-end pretraining vision-language multimodal transformer-based model, in the tasks of Visual Commonsense Reasoning (VCR) and WebQA, two visual question answering benchmarks. Furthermore, we also present a few interesting findings about multimodal transformer behaviors that were learned through our tool.

Modeling continuous dynamical systems from discretely sampled observations is a fundamental problem in data science. Often, such dynamics are the result of non-local processes that present an integral over time. As such, these systems are modeled with Integro-Differential Equations (IDEs); generalizations of differential equations that comprise both an integral and a differential component. For example, brain dynamics are not accurately modeled by differential equations since their behavior is non-Markovian, i.e. dynamics are in part dictated by history. Here, we introduce the Neural IDE (NIDE), a novel deep learning framework based on the theory of IDEs where integral operators are learned using neural networks. We test NIDE on several toy and brain activity datasets and demonstrate that NIDE outperforms other models. These tasks include time extrapolation as well as predicting dynamics from unseen initial conditions, which we test on whole-cortex activity recordings in freely behaving mice. Further, we show that NIDE can decompose dynamics into their Markovian and non-Markovian constituents via the learned integral operator, which we test on fMRI brain activity recordings of people on ketamine. Finally, the integrand of the integral operator provides a latent space that gives insight into the underlying dynamics, which we demonstrate on wide-field brain imaging recordings. Altogether, NIDE is a novel approach that enables modeling of complex non-local dynamics with neural networks.

We consider the problem of demand-side energy management, where each household is equipped with a smart meter that is able to schedule home appliances online. The goal is to minimize the overall cost under a real-time pricing scheme. While previous works have introduced centralized approaches in which the scheduling algorithm has full observability, we propose the formulation of a smart grid environment as a Markov game. Each household is a decentralized agent with partial observability, which allows scalability and privacy-preservation in a realistic setting. The grid operator produces a price signal that varies with the energy demand. We propose an extension to a multi-agent, deep actor-critic algorithm to address partial observability and the perceived non-stationarity of the environment from the agent's viewpoint. This algorithm learns a centralized critic that coordinates training of decentralized agents. Our approach thus uses centralized learning but decentralized execution. Simulation results show that our online deep reinforcement learning method can reduce both the peak-to-average ratio of total energy consumed and the cost of electricity for all households based purely on instantaneous observations and a price signal.

We introduce Opacus, a free, open-source PyTorch library for training deep learning models with differential privacy (hosted at opacus.ai). Opacus is designed for simplicity, flexibility, and speed. It provides a simple and user-friendly API, and enables machine learning practitioners to make a training pipeline private by adding as little as two lines to their code. It supports a wide variety of layers, including multi-head attention, convolution, LSTM, GRU (and generic RNN), and embedding, right out of the box and provides the means for supporting other user-defined layers. Opacus computes batched per-sample gradients, providing higher efficiency compared to the traditional "micro batch" approach. In this paper we present Opacus, detail the principles that drove its implementation and unique features, and benchmark it against other frameworks for training models with differential privacy as well as standard PyTorch.

We present a scalable post-processing algorithm for debiasing trained models, including deep neural networks (DNNs), which we prove to be near-optimal by bounding its excess Bayes risk. We empirically validate its advantages on standard benchmark datasets across both classical algorithms as well as modern DNN architectures and demonstrate that it outperforms previous post-processing methods while performing on par with in-processing. In addition, we show that the proposed algorithm is particularly effective for models trained at scale where post-processing is a natural and practical choice.

Representing deep neural networks (DNNs) in low-precision is a promising approach to enable efficient acceleration and memory reduction. Previous methods that train DNNs in low-precision typically keep a copy of weights in high-precision during the weight updates. Directly training with low-precision weights leads to accuracy degradation due to complex interactions between the low-precision number systems and the learning algorithms. To address this issue, we develop a co-designed low-precision training framework, termed LNS-Madam, in which we jointly design a logarithmic number system (LNS) and a multiplicative weight update algorithm (Madam). We prove that LNS-Madam results in low quantization error during weight updates, leading to stable performance even if the precision is limited. We further propose a hardware design of LNS-Madam that resolves practical challenges in implementing an efficient datapath for LNS computations. Our implementation effectively reduces energy overhead incurred by LNS-to-integer conversion and partial sum accumulation. Experimental results show that LNS-Madam achieves comparable accuracy to full-precision counterparts with only 8 bits on popular computer vision and natural language tasks. Compared to FP32 and FP8, LNS-Madam reduces the energy consumption by over 90% and 55%, respectively.

Understanding document images (e.g., invoices) is a core but challenging task since it requires complex functions such as reading text and a holistic understanding of the document. Current Visual Document Understanding (VDU) methods outsource the task of reading text to off-the-shelf Optical Character Recognition (OCR) engines and focus on the understanding task with the OCR outputs. Although such OCR-based approaches have shown promising performance, they suffer from 1) high computational costs for using OCR; 2) inflexibility of OCR models on languages or types of document; 3) OCR error propagation to the subsequent process. To address these issues, in this paper, we introduce a novel OCR-free VDU model named Donut, which stands for Document understanding transformer. As the first step in OCR-free VDU research, we propose a simple architecture (i.e., Transformer) with a pre-training objective (i.e., cross-entropy loss). Donut is conceptually simple yet effective. Through extensive experiments and analyses, we show a simple OCR-free VDU model, Donut, achieves state-of-the-art performances on various VDU tasks in terms of both speed and accuracy. In addition, we offer a synthetic data generator that helps the model pre-training to be flexible in various languages and domains. The code, trained model and synthetic data are available at https://github.com/clovaai/donut.

Understanding the cumulative effect of multiple fairness enhancing interventions at different stages of the machine learning (ML) pipeline is a critical and underexplored facet of the fairness literature. Such knowledge can be valuable to data scientists/ML practitioners in designing fair ML pipelines. This paper takes the first step in exploring this area by undertaking an extensive empirical study comprising 60 combinations of interventions, 9 fairness metrics, 2 utility metrics (Accuracy and F1 Score) across 4 benchmark datasets. We quantitatively analyze the experimental data to measure the impact of multiple interventions on fairness, utility and population groups. We found that applying multiple interventions results in better fairness and lower utility than individual interventions on aggregate. However, adding more interventions do no always result in better fairness or worse utility. The likelihood of achieving high performance (F1 Score) along with high fairness increases with larger number of interventions. On the downside, we found that fairness-enhancing interventions can negatively impact different population groups, especially the privileged group. This study highlights the need for new fairness metrics that account for the impact on different population groups apart from just the disparity between groups. Lastly, we offer a list of combinations of interventions that perform best for different fairness and utility metrics to aid the design of fair ML pipelines.

Explainable Artificial Intelligence (XAI) is a promising solution to improve the transparency of machine learning (ML) pipelines. We systematize the increasingly growing (but fragmented) microcosm of studies that develop and utilize XAI methods for defensive and offensive cybersecurity tasks. We identify 3 cybersecurity stakeholders, i.e., model users, designers, and adversaries, that utilize XAI for 5 different objectives within an ML pipeline, namely 1) XAI-enabled decision support, 2) applied XAI for security tasks, 3) model verification via XAI, 4) explanation verification & robustness, and 5) offensive use of explanations. We further classify the literature w.r.t. the targeted security domain. Our analysis of the literature indicates that many of the XAI applications are designed with little understanding of how they might be integrated into analyst workflows -- user studies for explanation evaluation are conducted in only 14% of the cases. The literature also rarely disentangles the role of the various stakeholders. Particularly, the role of the model designer is minimized within the security literature. To this end, we present an illustrative use case accentuating the role of model designers. We demonstrate cases where XAI can help in model verification and cases where it may lead to erroneous conclusions instead. The systematization and use case enable us to challenge several assumptions and present open problems that can help shape the future of XAI within cybersecurity

Temporal event representations are an essential aspect of learning among humans. They allow for succinct encoding of the experiences we have through a variety of sensory inputs. Also, they are believed to be arranged hierarchically, allowing for an efficient representation of complex long-horizon experiences. Additionally, these representations are acquired in a self-supervised manner. Analogously, here we propose a model that learns temporal representations from long-horizon visual demonstration data and associated textual descriptions, without explicit temporal supervision. Our method produces a hierarchy of representations that align more closely with ground-truth human-annotated events (+15.3) than state-of-the-art unsupervised baselines. Our results are comparable to heavily-supervised baselines in complex visual domains such as Chess Openings, YouCook2 and TutorialVQA datasets. Finally, we perform ablation studies illustrating the robustness of our approach. We release our code and demo visualizations in the Supplementary Material.

Identifying reaction coordinates(RCs) is an active area of research, given the crucial role RCs play in determining the progress of a chemical reaction. The choice of the reaction coordinate is often based on heuristic knowledge. However, an essential criterion for the choice is that the coordinate should capture both the reactant and product states unequivocally. Also, the coordinate should be the slowest one so that all the other degrees of freedom can easily equilibrate along the reaction coordinate. Also, the coordinate should be the slowest one so that all the other degrees of freedom can easily equilibrate along the reaction coordinate. We used a regularised sparse autoencoder, an energy-based model, to discover a crucial set of reaction coordinates. Along with discovering reaction coordinates, our model also predicts the evolution of a molecular dynamics(MD) trajectory. We showcased that including sparsity enforcing regularisation helps in choosing a small but important set of reaction coordinates. We used two model systems to demonstrate our approach: alanine dipeptide system and proflavine and DNA system, which exhibited intercalation of proflavine into DNA minor groove in an aqueous environment. We model MD trajectory as a multivariate time series, and our latent variable model performs the task of multi-step time series prediction. This idea is inspired by the popular sparse coding approach - to represent each input sample as a linear combination of few elements taken from a set of representative patterns.

Protein-protein interaction (PPI) networks consist of the physical and/or functional interactions between the proteins of an organism. Since the biophysical and high-throughput methods used to form PPI networks are expensive, time-consuming, and often contain inaccuracies, the resulting networks are usually incomplete. In order to infer missing interactions in these networks, we propose a novel class of link prediction methods based on continuous-time classical and quantum random walks. In the case of quantum walks, we examine the usage of both the network adjacency and Laplacian matrices for controlling the walk dynamics. We define a score function based on the corresponding transition probabilities and perform tests on four real-world PPI datasets. Our results show that continuous-time classical random walks and quantum walks using the network adjacency matrix can successfully predict missing protein-protein interactions, with performance rivalling the state of the art.

Understanding the computational complexity of training simple neural networks with rectified linear units (ReLUs) has recently been a subject of intensive research. Closing gaps and complementing results from the literature, we present several results on the parameterized complexity of training two-layer ReLU networks with respect to various loss functions. After a brief discussion of other parameters, we focus on analyzing the influence of the dimension $d$ of the training data on the computational complexity. We provide running time lower bounds in terms of W[1]-hardness for parameter $d$ and prove that known brute-force strategies are essentially optimal (assuming the Exponential Time Hypothesis). In comparison with previous work, our results hold for a broad(er) range of loss functions, including $\ell^p$-loss for all $p\in[0,\infty]$. In particular, we extend a known polynomial-time algorithm for constant $d$ and convex loss functions to a more general class of loss functions, matching our running time lower bounds also in these cases.

We study the problem of globally optimizing the causal effect on a target variable of an unknown causal graph in which interventions can be performed. This problem arises in many areas of science including biology, operations research and healthcare. We propose Causal Entropy Optimization (CEO), a framework that generalizes Causal Bayesian Optimization (CBO) to account for all sources of uncertainty, including the one arising from the causal graph structure. CEO incorporates the causal structure uncertainty both in the surrogate models for the causal effects and in the mechanism used to select interventions via an information-theoretic acquisition function. The resulting algorithm automatically trades-off structure learning and causal effect optimization, while naturally accounting for observation noise. For various synthetic and real-world structural causal models, CEO achieves faster convergence to the global optimum compared with CBO while also learning the graph. Furthermore, our joint approach to structure learning and causal optimization improves upon sequential, structure-learning-first approaches.

A reliable evaluation method is essential for building a robust out-of-distribution (OOD) detector. Current robustness evaluation protocols for OOD detectors rely on injecting perturbations to outlier data. However, the perturbations are unlikely to occur naturally or not relevant to the content of data, providing a limited assessment of robustness. In this paper, we propose Evaluation-via-Generation for OOD detectors (EvG), a new protocol for investigating the robustness of OOD detectors under more realistic modes of variation in outliers. EvG utilizes a generative model to synthesize plausible outliers, and employs MCMC sampling to find outliers misclassified as in-distribution with the highest confidence by a detector. We perform a comprehensive benchmark comparison of the performance of state-of-the-art OOD detectors using EvG, uncovering previously overlooked weaknesses.

Conditional independence has been widely used in AI, causal inference, machine learning, and statistics. We introduce categoroids, an algebraic structure for characterizing universal properties of conditional independence. Categoroids are defined as a hybrid of two categories: one encoding a preordered lattice structure defined by objects and arrows between them; the second dual parameterization involves trigonoidal objects and morphisms defining a conditional independence structure, with bridge morphisms providing the interface between the binary and ternary structures. We illustrate categoroids using three well-known examples of axiom sets: graphoids, integer-valued multisets, and separoids. Functoroids map one categoroid to another, preserving the relationships defined by all three types of arrows in the co-domain categoroid. We describe a natural transformation across functoroids, which is natural across regular objects and trigonoidal objects, to construct universal representations of conditional independence.. We use adjunctions and monads between categoroids to abstractly characterize faithfulness of graphical and non-graphical representations of conditional independence.

Causal graph, as an effective and powerful tool for causal modeling, is usually assumed as a Directed Acyclic Graph (DAG). However, recommender systems usually involve feedback loops, defined as the cyclic process of recommending items, incorporating user feedback in model updates, and repeating the procedure. As a result, it is important to incorporate loops into the causal graphs to accurately model the dynamic and iterative data generation process for recommender systems. However, feedback loops are not always beneficial since over time they may encourage more and more narrowed content exposure, which if left unattended, may results in echo chambers. As a result, it is important to understand when the recommendations will lead to echo chambers and how to mitigate echo chambers without hurting the recommendation performance. In this paper, we design a causal graph with loops to describe the dynamic process of recommendation. We then take Markov process to analyze the mathematical properties of echo chamber such as the conditions that lead to echo chambers. Inspired by the theoretical analysis, we propose a Dynamic Causal Collaborative Filtering ($\partial$CCF) model, which estimates users' post-intervention preference on items based on back-door adjustment and mitigates echo chamber with counterfactual reasoning. Multiple experiments are conducted on real-world datasets and results show that our framework can mitigate echo chambers better than other state-of-the-art frameworks while achieving comparable recommendation performance with the base recommendation models.

Causal reasoning provides a language to ask important interventional and counterfactual questions beyond purely statistical association. In medical imaging, for example, we may want to study the causal effect of genetic, environmental, or lifestyle factors on the normal and pathological variation of anatomical phenotypes. However, while anatomical shape models of 3D surface meshes, extracted from automated image segmentation, can be reliably constructed, there is a lack of computational tooling to enable causal reasoning about morphological variations. To tackle this problem, we propose deep structural causal shape models (CSMs), which utilise high-quality mesh generation techniques, from geometric deep learning, within the expressive framework of deep structural causal models. CSMs enable subject-specific prognoses through counterfactual mesh generation ("How would this patient's brain structure change if they were ten years older?"), which is in contrast to most current works on purely population-level statistical shape modelling. We demonstrate the capabilities of CSMs at all levels of Pearl's causal hierarchy through a number of qualitative and quantitative experiments leveraging a large dataset of 3D brain structures.

Understanding the effect of a particular treatment or a policy pertains to many areas of interest, ranging from political economics, marketing to healthcare. In this paper, we develop a non-parametric algorithm for detecting the effects of treatment over time in the context of Synthetic Controls. The method builds on counterfactual predictions from many algorithms without necessarily assuming that the algorithms correctly capture the model. We introduce an inferential procedure for detecting treatment effects and show that the testing procedure is asymptotically valid for stationary, beta mixing processes without imposing any restriction on the set of base algorithms under consideration. We discuss consistency guarantees for average treatment effect estimates and derive regret bounds for the proposed methodology. The class of algorithms may include Random Forest, Lasso, or any other machine-learning estimator. Numerical studies and an application illustrate the advantages of the method.

This paper aims to dive more deeply into various models available, including; InceptionV3, InceptionResNetV2, MobileNetV2, and EfficientNetB7 using transfer learning, to classify Japanese animation-style character faces. This paper has shown that EfficientNet-B7 has the highest accuracy rate with 85.08\% top-1 Accuracy, followed by MobileNetV2, having a slightly less accurate result but with the benefits of much lower inference time and fewer number of required parameters. This paper also uses a few-shot learning framework, specifically Prototypical Networks, which produces decent results that can be used as an alternative to traditional transfer learning methods.

Researchers have proposed a wide variety of model explanation approaches, but it remains unclear how most methods are related or when one method is preferable to another. We examine the literature and find that many methods are based on a shared principle of explaining by removing - essentially, measuring the impact of removing sets of features from a model. These methods vary in several respects, so we develop a framework for removal-based explanations that characterizes each method along three dimensions: 1) how the method removes features, 2) what model behavior the method explains, and 3) how the method summarizes each feature's influence. Our framework unifies 26 existing methods, including several of the most widely used approaches (SHAP, LIME, Meaningful Perturbations, permutation tests). Exposing the fundamental similarities between these methods empowers users to reason about which tools to use, and suggests promising directions for ongoing model explainability research.

More data helps us generalize to a task. But real datasets can contain out-of-distribution (OOD) data; this can come in the form of heterogeneity such as intra-class variability but also in the form of temporal shifts or concept drifts. We demonstrate a counter-intuitive phenomenon for such problems: generalization error of the task can be a non-monotonic function of the number of OOD samples; a small number of OOD samples can improve generalization but if the number of OOD samples is beyond a threshold, then the generalization error can deteriorate. We also show that if we know which samples are OOD, then using a weighted objective between the target and OOD samples ensures that the generalization error decreases monotonically. We demonstrate and analyze this issue using linear classifiers on synthetic datasets and medium-sized neural networks on CIFAR-10.

We introduce a method for embedding graphs as vectors in a structure-preserving manner. In this paper, we showcase its rich representational capacity and give some theoretical properties of our method. In particular, our procedure falls under the bind-and-sum approach, and we show that our binding operation -- the tensor product -- is the most general binding operation that respects the principle of superposition. Similarly, we show that the spherical code achieves optimal compression. We then establish some precise results characterizing the performance our method as well as some experimental results showcasing how it can accurately perform various graph operations even when the number of edges is quite large. Finally, we conclude with establishing a link to adjacency matrices, showing that our method is, in some sense, a generalization of adjacency matrices with applications towards large sparse graphs.

Mixed-integer nonlinear optimization is a broad class of problems that feature combinatorial structures and nonlinearities. Typical exact methods combine a branch-and-bound scheme with relaxation and separation subroutines. We investigate the properties and advantages of error-adaptive first-order methods based on the Frank-Wolfe algorithm for this setting, requiring only a gradient oracle for the objective function and linear optimization over the feasible set. In particular, we will study the algorithmic consequences of optimizing with a branch-and-bound approach where the subproblem over the convex hull of the mixed-integer feasible set due to Frank-Wolfe linear oracles, compared to solving the subproblems over the continuous relaxation of the same set. This novel approach computes feasible solutions while working on a single representation of the polyhedral constraints, leveraging the full extent of Mixed-Integer Programming (MIP) solvers without an outer approximation scheme.

Recent development in angle-resolved photoemission spectroscopy (ARPES) technique involves spatially resolving samples while maintaining the high-resolution feature of momentum space. This development easily expands the data size and its complexity for data analysis, where one of it is to label similar dispersion cuts and map them spatially. In this work, we demonstrate that the recent development in representational learning (self-supervised learning) model combined with k-means clustering can help automate that part of data analysis and save precious time, albeit with low performance. Finally, we introduce a few-shot learning (k-nearest neighbour or kNN) in representational space where we selectively choose one (k=1) image reference for each known label and subsequently label the rest of the data with respect to the nearest reference image. This last approach demonstrates the strength of the self-supervised learning to automate the image analysis in ARPES in particular and can be generalized into any science data analysis that heavily involves image data.

Network alignment (NA) is the task of discovering node correspondences across different networks. Although NA methods have achieved remarkable success in a myriad of scenarios, their satisfactory performance is not without prior anchor link information and/or node attributes, which may not always be available. In this paper, we propose Grad-Align+, a novel NA method using node attribute augmentation that is quite robust to the absence of such additional information. Grad-Align+ is built upon a recent state-of-the-art NA method, the so-called Grad-Align, that gradually discovers only a part of node pairs until all node pairs are found. Specifically, Grad-Align+ is composed of the following key components: 1) augmenting node attributes based on nodes' centrality measures, 2) calculating an embedding similarity matrix extracted from a graph neural network into which the augmented node attributes are fed, and 3) gradually discovering node pairs by calculating similarities between cross-network nodes with respect to the aligned cross-network neighbor-pair. Experimental results demonstrate that Grad-Align+ exhibits (a) superiority over benchmark NA methods, (b) empirical validation of our theoretical findings, and (c) the effectiveness of our attribute augmentation module.

Of late, in order to have better acceptability among various domain, researchers have argued that machine intelligence algorithms must be able to provide explanations that humans can understand causally. This aspect, also known as causability, achieves a specific level of human-level explainability. A specific class of algorithms known as counterfactuals may be able to provide causability. In statistics, causality has been studied and applied for many years, but not in great detail in artificial intelligence (AI). In a first-of-its-kind study, we employed the principles of causal inference to provide explainability for solving the analytical customer relationship management (ACRM) problems. In the context of banking and insurance, current research on interpretability tries to address causality-related questions like why did this model make such decisions, and was the model's choice influenced by a particular factor? We propose a solution in the form of an intervention, wherein the effect of changing the distribution of features of ACRM datasets is studied on the target feature. Subsequently, a set of counterfactuals is also obtained that may be furnished to any customer who demands an explanation of the decision taken by the bank/insurance company. Except for the credit card churn prediction dataset, good quality counterfactuals were generated for the loan default, insurance fraud detection, and credit card fraud detection datasets, where changes in no more than three features are observed.

Recent studies have shown that deep neural networks (DNNs) are vulnerable to adversarial attacks, including evasion and backdoor (poisoning) attacks. On the defense side, there have been intensive efforts on improving both empirical and provable robustness against evasion attacks; however, the provable robustness against backdoor attacks still remains largely unexplored. In this paper, we focus on certifying the machine learning model robustness against general threat models, especially backdoor attacks. We first provide a unified framework via randomized smoothing techniques and show how it can be instantiated to certify the robustness against both evasion and backdoor attacks. We then propose the first robust training process, RAB, to smooth the trained model and certify its robustness against backdoor attacks. We prove the robustness bound for machine learning models trained with RAB and prove that our robustness bound is tight. In addition, we theoretically show that it is possible to train the robust smoothed models efficiently for simple models such as K-nearest neighbor classifiers, and we propose an exact smooth-training algorithm that eliminates the need to sample from a noise distribution for such models. Empirically, we conduct comprehensive experiments for different machine learning (ML) models such as DNNs, support vector machines, and K-NN models on MNIST, CIFAR-10, and ImageNette datasets and provide the first benchmark for certified robustness against backdoor attacks. In addition, we evaluate K-NN models on a spambase tabular dataset to demonstrate the advantages of the proposed exact algorithm. Both the theoretic analysis and the comprehensive evaluation on diverse ML models and datasets shed light on further robust learning strategies against general training time attacks.

Credit cards play an exploding role in modern economies. Its popularity and ubiquity have created a fertile ground for fraud, assisted by the cross boarder reach and instantaneous confirmation. While transactions are growing, the fraud percentages are also on the rise as well as the true cost of a dollar fraud. Volume of transactions, uniqueness of frauds and ingenuity of the fraudster are main challenges in detecting frauds. The advent of machine learning, artificial intelligence and big data has opened up new tools in the fight against frauds. Given past transactions, a machine learning algorithm has the ability to 'learn' infinitely complex characteristics in order to identify frauds in real-time, surpassing the best human investigators. However, the developments in fraud detection algorithms has been challenging and slow due the massively unbalanced nature of fraud data, absence of benchmarks and standard evaluation metrics to identify better performing classifiers, lack of sharing and disclosure of research findings and the difficulties in getting access to confidential transaction data for research. This work investigates the properties of typical massively imbalanced fraud data sets, their availability, suitability for research use while exploring the widely varying nature of fraud distributions. Furthermore, we show how human annotation errors compound with machine classification errors. We also carry out experiments to determine the effect of PCA obfuscation (as a means of disseminating sensitive transaction data for research and machine learning) on algorithmic performance of classifiers and show that while PCA does not significantly degrade performance, care should be taken to use the appropriate principle component size (dimensions) to avoid overfitting.

With the progress of the urbanisation process, the urban transportation system is extremely critical to the development of cities and the quality of life of the citizens. Among them, it is one of the most important tasks to judge traffic congestion by analysing the congestion factors. Recently, various traditional and machine-learning-based models have been introduced for predicting traffic congestion. However, these models are either poorly aggregated for massive congestion factors or fail to make accurate predictions for every precise location in large-scale space. To alleviate these problems, a novel end-to-end framework based on convolutional neural networks is proposed in this paper. With learning representations, the framework proposes a novel multimodal fusion module and a novel representation mapping module to achieve traffic congestion predictions on arbitrary query locations on a large-scale map, combined with various global reference information. The proposed framework achieves significant results and efficient inference on real-world large-scale datasets.

In this paper, we consider to improve the stochastic variance reduce gradient (SVRG) method via incorporating the curvature information of the objective function. We propose to reduce the variance of stochastic gradients using the computationally efficient Barzilai-Borwein (BB) method by incorporating it into the SVRG. We also incorporate a BB-step size as its variant. We prove its linear convergence theorem that works not only for the proposed method but also for the other existing variants of SVRG with second-order information. We conduct the numerical experiments on the benchmark datasets and show that the proposed method with constant step size performs better than the existing variance reduced methods for some test problems.

Fully supervised log anomaly detection methods require a lot of labeled data to achieve promising performance. Thus, how to alleviate the heavy burden of annotating massive unlabeled log data has received much attention. Recently, many semi-supervised log anomaly detection methods have been proposed to reduce the annotation costs with the help of templates parsed from labeled normal data. However, these methods usually consider each keyword independently, which disregard the correlation among keywords in log events and the contextual relationships among log sequences. In this paper, we propose a novel weakly supervised log anomaly detection framework, named LogLG, to explore the semantic connections among keywords from sequences. Specifically, we design an iterative process, where the keywords of unlabeled logs are first extracted to construct a log-event graph in each iteration. Then, we build a subgraph annotator to alter the purpose of generating pseudo labels for unlabeled log sequences into annotating corresponding log-subgraphs. To ameliorate the annotation quality, we adopt a self-supervised task to pre-train a subgraph annotator. After that, a log anomaly detection model is trained with the pseudo labels generated by the subgraph annotator. Conditioned on the classification results, we re-extract the keywords from the classified log sequences and update the log-event graph for the next iteration. Experiments on five benchmarks validate the effectiveness of LogLG for detecting anomalies on unlabeled log data, and demonstrate that LogLG, as the state-of-the-art weakly supervised method, achieves significant improvements compared to existing semi-supervised methods.

A rich supply of data and innovative algorithms have made data-driven modeling a popular technique in modern industry. Among various data-driven methods, latent variable models (LVMs) and their counterparts account for a major share and play a vital role in many industrial modeling areas. LVM can be generally divided into statistical learning-based classic LVM and neural networks-based deep LVM (DLVM). We first discuss the definitions, theories and applications of classic LVMs in detail, which serves as both a comprehensive tutorial and a brief application survey on classic LVMs. Then we present a thorough introduction to current mainstream DLVMs with emphasis on their theories and model architectures, soon afterwards provide a detailed survey on industrial applications of DLVMs. The aforementioned two types of LVM have obvious advantages and disadvantages. Specifically, classic LVMs have concise principles and good interpretability, but their model capacity cannot address complicated tasks. Neural networks-based DLVMs have sufficient model capacity to achieve satisfactory performance in complex scenarios, but it comes at sacrifices in model interpretability and efficiency. Aiming at combining the virtues and mitigating the drawbacks of these two types of LVMs, as well as exploring non-neural-network manners to build deep models, we propose a novel concept called lightweight deep LVM (LDLVM). After proposing this new idea, the article first elaborates the motivation and connotation of LDLVM, then provides two novel LDLVMs, along with thorough descriptions on their principles, architectures and merits. Finally, outlooks and opportunities are discussed, including important open questions and possible research directions.

Providing meaningful recommendations in a content marketplace is challenging due to the fact that users are not the final content consumers. Instead, most users are creatives whose interests, linked to the projects they work on, change rapidly and abruptly. To address the challenging task of recommending images to content creators, we design a RecSys that learns visual styles preferences transversal to the semantics of the projects users work on. We analyze the challenges of the task compared to content-based recommendations driven by semantics, propose an evaluation setup, and explain its applications in a global image marketplace. This technical report is an extension of the paper "Learning Users' Preferred Visual Styles in an Image Marketplace", presented at ACM RecSys '22.

Learning discriminative representations of unlabelled data is a challenging task. Contrastive self-supervised learning provides a framework to learn meaningful representations using learned notions of similarity measures from simple pretext tasks. In this work, we propose a simple and efficient framework for self-supervised image segmentation using contrastive learning on image patches, without using explicit pretext tasks or any further labeled fine-tuning. A fully convolutional neural network (FCNN) is trained in a self-supervised manner to discern features in the input images and obtain confidence maps which capture the network's belief about the objects belonging to the same class. Positive- and negative- patches are sampled based on the average entropy in the confidence maps for contrastive learning. Convergence is assumed when the information separation between the positive patches is small, and the positive-negative pairs is large. We evaluate this method for the task of segmenting nuclei from multiple histopathology datasets, and show comparable performance with relevant self-supervised and supervised methods. The proposed model only consists of a simple FCNN with 10.8k parameters and requires about 5 minutes to converge on the high resolution microscopy datasets, which is orders of magnitude smaller than the relevant self-supervised methods to attain similar performance.

We introduce a novel way to combine boosting with Gaussian process and mixed effects models. This allows for relaxing, first, the zero or linearity assumption for the prior mean function in Gaussian process and grouped random effects models in a flexible non-parametric way and, second, the independence assumption made in most boosting algorithms. The former is advantageous for prediction accuracy and for avoiding model misspecifications. The latter is important for efficient learning of the fixed effects predictor function and for obtaining probabilistic predictions. Our proposed algorithm is also a novel solution for handling high-cardinality categorical variables in tree-boosting. In addition, we present an extension that scales to large data using a Vecchia approximation for the Gaussian process model relying on novel results for covariance parameter inference. We obtain increased prediction accuracy compared to existing approaches on several simulated and real-world data sets.

Lottery tickets (LTs) is able to discover accurate and sparse subnetworks that could be trained in isolation to match the performance of dense networks. Ensemble, in parallel, is one of the oldest time-proven tricks in machine learning to improve performance by combining the output of multiple independent models. However, the benefits of ensemble in the context of LTs will be diluted since ensemble does not directly lead to stronger sparse subnetworks, but leverages their predictions for a better decision. In this work, we first observe that directly averaging the weights of the adjacent learned subnetworks significantly boosts the performance of LTs. Encouraged by this observation, we further propose an alternative way to perform an 'ensemble' over the subnetworks identified by iterative magnitude pruning via a simple interpolating strategy. We call our method Lottery Pools. In contrast to the naive ensemble which brings no performance gains to each single subnetwork, Lottery Pools yields much stronger sparse subnetworks than the original LTs without requiring any extra training or inference cost. Across various modern architectures on CIFAR-10/100 and ImageNet, we show that our method achieves significant performance gains in both, in-distribution and out-of-distribution scenarios. Impressively, evaluated with VGG-16 and ResNet-18, the produced sparse subnetworks outperform the original LTs by up to 1.88% on CIFAR-100 and 2.36% on CIFAR-100-C; the resulting dense network surpasses the pre-trained dense-model up to 2.22% on CIFAR-100 and 2.38% on CIFAR-100-C.

When inferring reward functions from human behavior (be it demonstrations, comparisons, physical corrections, or e-stops), it has proven useful to model the human as making noisy-rational choices, with a "rationality coefficient" capturing how much noise or entropy we expect to see in the human behavior. Many existing works have opted to fix this coefficient regardless of the type, or quality, of human feedback. However, in some settings, giving a demonstration may be much more difficult than answering a comparison query. In this case, we should expect to see more noise or suboptimality in demonstrations than in comparisons, and should interpret the feedback accordingly. In this work, we advocate that grounding the rationality coefficient in real data for each feedback type, rather than assuming a default value, has a significant positive effect on reward learning. We test this in experiments with both simulated feedback, as well a user study. We find that when learning from a single feedback type, overestimating human rationality can have dire effects on reward accuracy and regret. Further, we find that the rationality level affects the informativeness of each feedback type: surprisingly, demonstrations are not always the most informative -- when the human acts very suboptimally, comparisons actually become more informative, even when the rationality level is the same for both. Moreover, when the robot gets to decide which feedback type to ask for, it gets a large advantage from accurately modeling the rationality level of each type. Ultimately, our results emphasize the importance of paying attention to the assumed rationality level, not only when learning from a single feedback type, but especially when agents actively learn from multiple feedback types.

Taking into account information across the temporal domain helps to improve environment perception in autonomous driving. However, it has not been studied so far whether temporally fused neural networks are vulnerable to deliberately generated perturbations, i.e. adversarial attacks, or whether temporal history is an inherent defense against them. In this work, we study whether temporal feature networks for object detection are vulnerable to universal adversarial attacks. We evaluate attacks of two types: imperceptible noise for the whole image and locally-bound adversarial patch. In both cases, perturbations are generated in a white-box manner using PGD. Our experiments confirm, that attacking even a portion of a temporal input suffices to fool the network. We visually assess generated perturbations to gain insights into the functioning of attacks. To enhance the robustness, we apply adversarial training using 5-PGD. Our experiments on KITTI and nuScenes datasets demonstrate, that a model robustified via K-PGD is able to withstand the studied attacks while keeping the mAP-based performance comparable to that of an unattacked model.

This scientific paper propose a novel portfolio optimization model using an improved deep reinforcement learning algorithm. The objective function of the optimization model is the weighted sum of the expectation and value at risk(VaR) of portfolio cumulative return. The proposed algorithm is based on actor-critic architecture, in which the main task of critical network is to learn the distribution of portfolio cumulative return using quantile regression, and actor network outputs the optimal portfolio weight by maximizing the objective function mentioned above. Meanwhile, we exploit a linear transformation function to realize asset short selling. Finally, A multi-process method is used, called Ape-x, to accelerate the speed of deep reinforcement learning training. To validate our proposed approach, we conduct backtesting for two representative portfolios and observe that the proposed model in this work is superior to the benchmark strategies.

We propose a new sparse Granger-causal learning framework for temporal event data. We focus on a specific class of point processes called the Hawkes process. We begin by pointing out that most of the existing sparse causal learning algorithms for the Hawkes process suffer from a singularity in maximum likelihood estimation. As a result, their sparse solutions can appear only as numerical artifacts. In this paper, we propose a mathematically well-defined sparse causal learning framework based on a cardinality-regularized Hawkes process, which remedies the pathological issues of existing approaches. We leverage the proposed algorithm for the task of instance-wise causal event analysis, where sparsity plays a critical role. We validate the proposed framework with two real use-cases, one from the power grid and the other from the cloud data center management domain.

Federated learning (FL) facilitates multiple clients to jointly train a machine learning model without sharing their private data. However, Non-IID data of clients presents a tough challenge for FL. Existing personalized FL approaches rely heavily on the default treatment of one complete model as a basic unit and ignore the significance of different layers on Non-IID data of clients. In this work, we propose a new framework, federated model components self-attention (FedMCSA), to handle Non-IID data in FL, which employs model components self-attention mechanism to granularly promote cooperation between different clients. This mechanism facilitates collaboration between similar model components while reducing interference between model components with large differences. We conduct extensive experiments to demonstrate that FedMCSA outperforms the previous methods on four benchmark datasets. Furthermore, we empirically show the effectiveness of the model components self-attention mechanism, which is complementary to existing personalized FL and can significantly improve the performance of FL.

We propose StyleTalker, a novel audio-driven talking head generation model that can synthesize a video of a talking person from a single reference image with accurately audio-synced lip shapes, realistic head poses, and eye blinks. Specifically, by leveraging a pretrained image generator and an image encoder, we estimate the latent codes of the talking head video that faithfully reflects the given audio. This is made possible with several newly devised components: 1) A contrastive lip-sync discriminator for accurate lip synchronization, 2) A conditional sequential variational autoencoder that learns the latent motion space disentangled from the lip movements, such that we can independently manipulate the motions and lip movements while preserving the identity. 3) An auto-regressive prior augmented with normalizing flow to learn a complex audio-to-motion multi-modal latent space. Equipped with these components, StyleTalker can generate talking head videos not only in a motion-controllable way when another motion source video is given but also in a completely audio-driven manner by inferring realistic motions from the input audio. Through extensive experiments and user studies, we show that our model is able to synthesize talking head videos with impressive perceptual quality which are accurately lip-synced with the input audios, largely outperforming state-of-the-art baselines.

Decision trees are popular classification models, providing high accuracy and intuitive explanations. However, as the tree size grows the model interpretability deteriorates. Traditional tree-induction algorithms, such as C4.5 and CART, rely on impurity-reduction functions that promote the discriminative power of each split. Thus, although these traditional methods are accurate in practice, there has been no theoretical guarantee that they will produce small trees. In this paper, we justify the use of a general family of impurity functions, including the popular functions of entropy and Gini-index, in scenarios where small trees are desirable, by showing that a simple enhancement can equip them with complexity guarantees. We consider a general setting, where objects to be classified are drawn from an arbitrary probability distribution, classification can be binary or multi-class, and splitting tests are associated with non-uniform costs. As a measure of tree complexity, we adopt the expected cost to classify an object drawn from the input distribution, which, in the uniform-cost case, is the expected number of tests. We propose a tree-induction algorithm that gives a logarithmic approximation guarantee on the tree complexity. This approximation factor is tight up to a constant factor under mild assumptions. The algorithm recursively selects a test that maximizes a greedy criterion defined as a weighted sum of three components. The first two components encourage the selection of tests that improve the balance and the cost-efficiency of the tree, respectively, while the third impurity-reduction component encourages the selection of more discriminative tests. As shown in our empirical evaluation, compared to the original heuristics, the enhanced algorithms strike an excellent balance between predictive accuracy and tree complexity.

Background: AI-based analysis of sufficiently large, curated medical datasets has been shown to be promising for providing early detection, faster diagnosis, better decision-making, and more effective treatment. However, accessing such highly confidential and very sensitive medical data, obtained from a variety of sources, is usually highly restricted since improper use, unsafe storage, data leakage or abuse could violate a person's privacy. In this work we apply a federated learning paradigm over a heterogeneous, siloed sets of high-definition electrocardiogram arriving from 12-leads ECG sensors arrays to train AI models. We evaluated the capacity of the resulting models to achieve equivalent performance when compared to state-of-the-art models trained when the same data is collected in a central place. Methods: We propose a privacy preserving methodology for training AI models based on the federated learning paradigm over a heterogeneous, distributed, dataset. The methodology is applied to a broad range of machine learning techniques based on gradient boosting, convolutional neural network and recurrent neural networks with long short-term memory. The models were trained over a ECG dataset containing 12-leads recordings collected from 43,059 patients from six geographically separate and heterogeneous sources. Findings: The resulting set of AI models for detecting cardiovascular abnormalities achieved comparable predictive performances against models trained using a centralised learning approach. Interpretation: The approach of compute parameters contributing to the global model locally and then exchange only such parameters instead of the whole sensitive data as in ML contributes to preserve medical data privacy.

Mapping people dynamics is a crucial skill, because it enables robots to coexist in human-inhabited environments. However, learning a model of people dynamics is a time consuming process which requires observation of large amount of people moving in an environment. Moreover, approaches for mapping dynamics are unable to transfer the learned models across environments: each model only able to describe the dynamics of the environment it has been built in. However, the effect of architectural geometry on people movement can be used to estimate their dynamics, and recent work has looked into learning maps of dynamics from geometry. So far however, these methods have evaluated their performance only on small-size synthetic data, leaving the actual ability of these approaches to generalize to real conditions unexplored. In this work we propose a novel approach to learn people dynamics from geometry, where a model is trained and evaluated on real human trajectories in large-scale environments. We then show the ability of our method to generalize to unseen environments, which is unprecedented for maps of dynamics.

In this paper, we investigate the problem of string-based molecular generation via variational autoencoders (VAEs) that have served a popular generative approach for various tasks in artificial intelligence. We propose a simple, yet effective idea to improve the performance of VAE for the task. Our main idea is to maintain multiple decoders while sharing a single encoder, i.e., it is a type of ensemble techniques. Here, we first found that training each decoder independently may not be effective as the bias of the ensemble decoder increases severely under its auto-regressive inference. To maintain both small bias and variance of the ensemble model, our proposed technique is two-fold: (a) a different latent variable is sampled for each decoder (from estimated mean and variance offered by the shared encoder) to encourage diverse characteristics of decoders and (b) a collaborative loss is used during training to control the aggregated quality of decoders using different latent variables. In our experiments, the proposed VAE model particularly performs well for generating a sample from out-of-domain distribution.

There has been a growing interest in Machine Unlearning recently, primarily due to legal requirements such as the General Data Protection Regulation (GDPR) and the California Consumer Privacy Act. Thus, multiple approaches were presented to remove the influence of specific target data points from a trained model. However, when evaluating the success of unlearning, current approaches either use adversarial attacks or compare their results to the optimal solution, which usually incorporates retraining from scratch. We argue that both ways are insufficient in practice. In this work, we present an evaluation metric for Machine Unlearning algorithms based on epistemic uncertainty. This is the first definition of a general evaluation metric for Machine Unlearning to our best knowledge.

Thompson Sampling is one of the most effective methods for contextual bandits and has been generalized to posterior sampling for certain MDP settings. However, existing posterior sampling methods for reinforcement learning are limited by being model-based or lack worst-case theoretical guarantees beyond linear MDPs. This paper proposes a new model-free formulation of posterior sampling that applies to more general episodic reinforcement learning problems with theoretical guarantees. We introduce novel proof techniques to show that under suitable conditions, the worst-case regret of our posterior sampling method matches the best known results of optimization based methods. In the linear MDP setting with dimension, the regret of our algorithm scales linearly with the dimension as compared to a quadratic dependence of the existing posterior sampling-based exploration algorithms.

This paper studies the asymptotic behavior of penalized spline estimates of derivatives. In particular, we show that simply differentiating the penalized spline estimator of the mean regression function itself to estimate the corresponding derivative achieves the optimal L2 rate of convergence.

Recent advancements in AI, especially deep learning, have contributed to a significant increase in the creation of new realistic-looking synthetic media (video, image, and audio) and manipulation of existing media, which has led to the creation of the new term ``deepfake''. Based on both the research literature and resources in English and in Chinese, this paper gives a comprehensive overview of deepfake, covering multiple important aspects of this emerging concept, including 1) different definitions, 2) commonly used performance metrics and standards, and 3) deepfake-related datasets, challenges, competitions and benchmarks. In addition, the paper also reports a meta-review of 12 selected deepfake-related survey papers published in 2020 and 2021, focusing not only on the mentioned aspects, but also on the analysis of key challenges and recommendations. We believe that this paper is the most comprehensive review of deepfake in terms of aspects covered, and the first one covering both the English and Chinese literature and sources.

With increasing concerns for data privacy and ownership, recent years have witnessed a paradigm shift in machine learning (ML). An emerging paradigm, federated learning (FL), has gained great attention and has become a novel design for machine learning implementations. FL enables the ML model training at data silos under the coordination of a central server, eliminating communication overhead and without sharing raw data. In this paper, we conduct a review of the FL paradigm and, in particular, compare the types, the network structures, and the global model aggregation methods. Then, we conducted a comprehensive review of FL applications in the energy domain (refer to the smart grid in this paper). We provide a thematic classification of FL to address a variety of energy-related problems, including demand response, identification, prediction, and federated optimizations. We describe the taxonomy in detail and conclude with a discussion of various aspects, including challenges, opportunities, and limitations in its energy informatics applications, such as energy system modeling and design, privacy, and evolution.

Recognizing the layout of unstructured digital documents is crucial when parsing the documents into the structured, machine-readable format for downstream applications. Recent studies in Document Layout Analysis usually rely on computer vision models to understand documents while ignoring other information, such as context information or relation of document components, which are vital to capture. Our Doc-GCN presents an effective way to harmonize and integrate heterogeneous aspects for Document Layout Analysis. We first construct graphs to explicitly describe four main aspects, including syntactic, semantic, density, and appearance/visual information. Then, we apply graph convolutional networks for representing each aspect of information and use pooling to integrate them. Finally, we aggregate each aspect and feed them into 2-layer MLPs for document layout component classification. Our Doc-GCN achieves new state-of-the-art results in three widely used DLA datasets.

We discuss future directions of Blockchain as a collaborative value co-creation platform, in which network participants can gain extra insights that cannot be accessed when disconnected from the others. As such, we propose a decentralized machine learning framework that is carefully designed to respect the values of democracy, diversity, and privacy. Specifically, we propose a federated multi-task learning framework that integrates a privacy-preserving dynamic consensus algorithm. We show that a specific network topology called the expander graph dramatically improves the scalability of global consensus building. We conclude the paper by making some remarks on open problems.

Learning-based control schemes have recently shown great efficacy performing complex tasks. However, in order to deploy them in real systems, it is of vital importance to guarantee that the system will remain safe during online training and execution. We therefore need safe online learning frameworks able to autonomously reason about whether the current information at their disposal is enough to ensure safety or, in contrast, new measurements are required. In this paper, we present a framework consisting of two parts: first, an out-of-distribution detection mechanism actively collecting measurements when needed to guarantee that at least one safety backup direction is always available for use; and second, a Gaussian Process-based probabilistic safety-critical controller that ensures the system stays safe at all times with high probability. Our method exploits model knowledge through the use of Control Barrier Functions, and collects measurements from the stream of online data in an event-triggered fashion to guarantee recursive feasibility of the learned safety-critical controller. This, in turn, allows us to provide formal results of forward invariance of a safe set with high probability, even in a priori unexplored regions. Finally, we validate the proposed framework in numerical simulations of an adaptive cruise control system.

Residential buildings with the ability to monitor and control their net-load (sum of load and generation) can provide valuable flexibility to power grid operators. We present a novel multiclass nonintrusive load monitoring (NILM) approach that enables effective net-load monitoring capabilities at high-frequency with minimal additional equipment and cost. The proposed machine learning based solution provides accurate multiclass state predictions while operating at a faster timescale (able to provide a prediction for each 60-Hz ac cycle used in US power grid) without relying on event-detection techniques. We also introduce an innovative hybrid classification-regression method that allows for the prediction of not only load on/off states via classification but also individual load operating power levels via regression. A test bed with eight residential appliances is used for validating the NILM approach. Results show that the overall method has high accuracy and, good scaling and generalization properties. Furthermore, the method is shown to have sufficient response time (within 160ms, corresponding to 10 ac cycles) to support building grid-interactive control at fast timescales relevant to the provision of grid frequency support services.

Network alignment, or the task of finding corresponding nodes in different networks, is an important problem formulation in many application domains. We propose CAPER, a multilevel alignment framework that Coarsens the input graphs, Aligns the coarsened graphs, Projects the alignment solution to finer levels and Refines the alignment solution. We show that CAPER can improve upon many different existing network alignment algorithms by enforcing alignment consistency across multiple graph resolutions: nodes matched at finer levels should also be matched at coarser levels. CAPER also accelerates the use of slower network alignment methods, at the modest cost of linear-time coarsening and refinement steps, by allowing them to be run on smaller coarsened versions of the input graphs. Experiments show that CAPER can improve upon diverse network alignment methods by an average of 33% in accuracy and/or an order of magnitude faster in runtime.

Recently, out-of-distribution (OOD) generalization has attracted attention to the robustness and generalization ability of deep learning based models, and accordingly, many strategies have been made to address different aspects related to this issue. However, most existing algorithms for OOD generalization are complicated and specifically designed for certain dataset. To alleviate this problem, nicochallenge-2022 provides NICO++, a large-scale dataset with diverse context information. In this paper, based on systematic analysis of different schemes on NICO++ dataset, we propose a simple but effective learning framework via coupling bag of tricks, including multi-objective framework design, data augmentations, training and inference strategies. Our algorithm is memory-efficient and easily-equipped, without complicated modules and does not require for large pre-trained models. It achieves an excellent performance with Top-1 accuracy of 88.16% on public test set and 75.65% on private test set, and ranks 1st in domain generalization task of nicochallenge-2022.

Machine learning and specifically reinforcement learning (RL) has been extremely successful in helping us to understand neural decision making processes. However, RL's role in understanding other neural processes especially motor learning is much less well explored. To explore this connection, we investigated how recent deep RL methods correspond to the dominant motor learning framework in neuroscience, error-based learning. Error-based learning can be probed using a mirror reversal adaptation paradigm, where it produces distinctive qualitative predictions that are observed in humans. We therefore tested three major families of modern deep RL algorithm on a mirror reversal perturbation. Surprisingly, all of the algorithms failed to mimic human behaviour and indeed displayed qualitatively different behaviour from that predicted by error-based learning. To fill this gap, we introduce a novel deep RL algorithm: model-based deterministic policy gradients (MB-DPG). MB-DPG draws inspiration from error-based learning by explicitly relying on the observed outcome of actions. We show MB-DPG captures (human) error-based learning under mirror-reversal and rotational perturbation. Next, we demonstrate error-based learning in the form of MB-DPG learns faster than canonical model-free algorithms on complex arm-based reaching tasks, while being more robust to (forward) model misspecification than model-based RL. These findings highlight the gap between current deep RL methods and human motor adaptation and offer a route to closing this gap, facilitating future beneficial interaction between between the two fields.

Interactions based on automatic speech recognition (ASR) have become widely used, with speech input being increasingly utilized to create documents. However, as there is no easy way to distinguish between commands being issued and text required to be input in speech, misrecognitions are difficult to identify and correct, meaning that documents need to be manually edited and corrected. The input of symbols and commands is also challenging because these may be misrecognized as text letters. To address these problems, this study proposes a speech interaction method called DualVoice, by which commands can be input in a whispered voice and letters in a normal voice. The proposed method does not require any specialized hardware other than a regular microphone, enabling a complete hands-free interaction. The method can be used in a wide range of situations where speech recognition is already available, ranging from text input to mobile/wearable computing. Two neural networks were designed in this study, one for discriminating normal speech from whispered speech, and the second for recognizing whisper speech. A prototype of a text input system was then developed to show how normal and whispered voice can be used in speech text input. Other potential applications using DualVoice are also discussed.

Post-editing in Automatic Speech Recognition (ASR) entails automatically correcting common and systematic errors produced by the ASR system. The outputs of an ASR system are largely prone to phonetic and spelling errors. In this paper, we propose to use a powerful pre-trained sequence-to-sequence model, BART, further adaptively trained to serve as a denoising model, to correct errors of such types. The adaptive training is performed on an augmented dataset obtained by synthetically inducing errors as well as by incorporating actual errors from an existing ASR system. We also propose a simple approach to rescore the outputs using word level alignments. Experimental results on accented speech data demonstrate that our strategy effectively rectifies a significant number of ASR errors and produces improved WER results when compared against a competitive baseline. We also highlight a negative result obtained on the related grammatical error correction task in Hindi language showing the limitation in capturing wider context by our proposed model.

Fall detection for the elderly is a well-researched problem with several proposed solutions, including wearable and non-wearable techniques. While the existing techniques have excellent detection rates, their adoption by the target population is lacking due to the need for wearing devices and user privacy concerns. Our paper provides a novel, non-wearable, non-intrusive, and scalable solution for fall detection, deployed on an autonomous mobile robot equipped with a microphone. The proposed method uses ambient sound input recorded in people's homes. We specifically target the bathroom environment as it is highly prone to falls and where existing techniques cannot be deployed without jeopardizing user privacy. The present work develops a solution based on a Transformer architecture that takes noisy sound input from bathrooms and classifies it into fall/no-fall class with an accuracy of 0.8673. Further, the proposed approach is extendable to other indoor environments, besides bathrooms and is suitable for deploying in elderly homes, hospitals, and rehabilitation facilities without requiring the user to wear any device or be constantly "watched" by the sensors.

Sampling the phase space of molecular systems -- and, more generally, of complex systems effectively modeled by stochastic differential equations -- is a crucial modeling step in many fields, from protein folding to materials discovery. These problems are often multiscale in nature: they can be described in terms of low-dimensional effective free energy surfaces parametrized by a small number of "slow" reaction coordinates; the remaining "fast" degrees of freedom populate an equilibrium measure on the reaction coordinate values. Sampling procedures for such problems are used to estimate effective free energy differences as well as ensemble averages with respect to the conditional equilibrium distributions; these latter averages lead to closures for effective reduced dynamic models. Over the years, enhanced sampling techniques coupled with molecular simulation have been developed. An intriguing analogy arises with the field of Machine Learning (ML), where Generative Adversarial Networks can produce high dimensional samples from low dimensional probability distributions. This sample generation returns plausible high dimensional space realizations of a model state, from information about its low-dimensional representation. In this work, we present an approach that couples physics-based simulations and biasing methods for sampling conditional distributions with ML-based conditional generative adversarial networks for the same task. The "coarse descriptors" on which we condition the fine scale realizations can either be known a priori, or learned through nonlinear dimensionality reduction. We suggest that this may bring out the best features of both approaches: we demonstrate that a framework that couples cGANs with physics-based enhanced sampling techniques can improve multiscale SDE dynamical systems sampling, and even shows promise for systems of increasing complexity.

Kernel methods in Quantum Machine Learning (QML) have recently gained significant attention as a potential candidate for achieving a quantum advantage in data analysis. Among other attractive properties, when training a kernel-based model one is guaranteed to find the optimal model's parameters due to the convexity of the training landscape. However, this is based on the assumption that the quantum kernel can be efficiently obtained from a quantum hardware. In this work we study the trainability of quantum kernels from the perspective of the resources needed to accurately estimate kernel values. We show that, under certain conditions, values of quantum kernels over different input data can be exponentially concentrated (in the number of qubits) towards some fixed value, leading to an exponential scaling of the number of measurements required for successful training. We identify four sources that can lead to concentration including: the expressibility of data embedding, global measurements, entanglement and noise. For each source, an associated concentration bound of quantum kernels is analytically derived. Lastly, we show that when dealing with classical data, training a parametrized data embedding with a kernel alignment method is also susceptible to exponential concentration. Our results are verified through numerical simulations for several QML tasks. Altogether, we provide guidelines indicating that certain features should be avoided to ensure the efficient evaluation and the trainability of quantum kernel methods.

Heterogeneous scientific workflows consist of numerous types of tasks and dependencies between them. Middleware capable of scheduling and submitting different task types across heterogeneous platforms must permit asynchronous execution of tasks for improved resource utilization, task throughput, and reduced makespan. In this paper we present an analysis of an important class of heterogeneous workflows, viz., AI-driven HPC workflows, to investigate asynchronous task execution requirements and properties. We model the degree of asynchronicity permitted for arbitrary workflows, and propose key metrics that can be used to determine qualitative benefits when employing asynchronous execution. Our experiments represent important scientific drivers, are performed at scale on Summit, and performance enhancements due to asynchronous execution are consistent with our model.

Artificial intelligence (AI) models have been developed for predicting clinically relevant biomarkers, including microsatellite instability (MSI), for colorectal cancers (CRC). However, the current deep-learning networks are data-hungry and require large training datasets, which are often lacking in the medical domain. In this study, based on the latest Hierarchical Vision Transformer using Shifted Windows (Swin-T), we developed an efficient workflow for biomarkers in CRC (MSI, hypermutation, chromosomal instability, CpG island methylator phenotype, BRAF, and TP53 mutation) that only required relatively small datasets, but achieved the state-of-the-art (SOTA) predictive performance. Our Swin-T workflow not only substantially outperformed published models in an intra-study cross-validation experiment using TCGA-CRC-DX dataset (N = 462), but also showed excellent generalizability in cross-study external validation and delivered a SOTA AUROC of 0.90 for MSI using the MCO dataset for training (N = 1065) and the same TCGA-CRC-DX for testing. Similar performance (AUROC=0.91) was achieved by Echle and colleagues using 8000 training samples (ResNet18) on the same testing dataset. Swin-T was extremely efficient using small training datasets and exhibits robust predictive performance with only 200-500 training samples. These data indicate that Swin-T may be 5-10 times more efficient than the current state-of-the-art algorithms for MSI based on ResNet18 and ShuffleNet. Furthermore, the Swin-T models showed promise as pre-screening tests for MSI status and BRAF mutation status, which could exclude and reduce the samples before the subsequent standard testing in a cascading diagnostic workflow to allow turnaround time reduction and cost saving.

Evolution Strategy (ES) is a powerful black-box optimization technique based on the idea of natural evolution. In each of its iterations, a key step entails ranking candidate solutions based on some fitness score. For an ES method in Reinforcement Learning (RL), this ranking step requires evaluating multiple policies. This is presently done via on-policy approaches: each policy's score is estimated by interacting several times with the environment using that policy. This leads to a lot of wasteful interactions since, once the ranking is done, only the data associated with the top-ranked policies is used for subsequent learning. To improve sample efficiency, we propose a novel off-policy alternative for ranking, based on a local approximation for the fitness function. We demonstrate our idea in the context of a state-of-the-art ES method called the Augmented Random Search (ARS). Simulations in MuJoCo tasks show that, compared to the original ARS, our off-policy variant has similar running times for reaching reward thresholds but needs only around 70% as much data. It also outperforms the recent Trust Region ES. We believe our ideas should be extendable to other ES methods as well.

The discovery of community structures in social networks has gained considerable attention as a fundamental problem for various network analysis tasks. However, due to privacy concerns or access restrictions, the network structure is often unknown, thereby rendering established community detection approaches ineffective without costly data acquisition. To tackle this challenge, we present META-CODE, a novel end-to-end solution for detecting overlapping communities in networks with unknown topology via exploratory learning aided by easy-to-collect node metadata. Specifically, META-CODE consists of three steps: 1) initial network inference, 2) node-level community-affiliation embedding based on graph neural networks (GNNs) trained by our new reconstruction loss, and 3) network exploration via community-affiliation-based node queries, where Steps 2 and 3 are performed iteratively. Experimental results demonstrate that META-CODE exhibits (a) superiority over benchmark methods for overlapping community detection, (b) the effectiveness of our training model, and (c) fast network exploration.

Graph neural networks (GNNs) are highly effective on a variety of graph-related tasks; however, they lack interpretability and transparency. Current explainability approaches are typically local and treat GNNs as black-boxes. They do not look inside the model, inhibiting human trust in the model and explanations. Motivated by the ability of neurons to detect high-level semantic concepts in vision models, we perform a novel analysis on the behaviour of individual GNN neurons to answer questions about GNN interpretability, and propose new metrics for evaluating the interpretability of GNN neurons. We propose a novel approach for producing global explanations for GNNs using neuron-level concepts to enable practitioners to have a high-level view of the model. Specifically, (i) to the best of our knowledge, this is the first work which shows that GNN neurons act as concept detectors and have strong alignment with concepts formulated as logical compositions of node degree and neighbourhood properties; (ii) we quantitatively assess the importance of detected concepts, and identify a trade-off between training duration and neuron-level interpretability; (iii) we demonstrate that our global explainability approach has advantages over the current state-of-the-art -- we can disentangle the explanation into individual interpretable concepts backed by logical descriptions, which reduces potential for bias and improves user-friendliness.

Established methods for unsupervised representation learning such as variational autoencoders produce none or poorly calibrated uncertainty estimates making it difficult to evaluate if learned representations are stable and reliable. In this work, we present a Bayesian autoencoder for unsupervised representation learning, which is trained using a novel variational lower-bound of the autoencoder evidence. This is maximized using Monte Carlo EM with a variational distribution that takes the shape of a Laplace approximation. We develop a new Hessian approximation that scales linearly with data size allowing us to model high-dimensional data. Empirically, we show that our Laplacian autoencoder estimates well-calibrated uncertainties in both latent and output space. We demonstrate that this results in improved performance across a multitude of downstream tasks.

Shear viscosity, though being a fundamental property of all liquids, is computationally expensive to estimate from equilibrium molecular dynamics simulations. Recently, Machine Learning (ML) methods have been used to augment molecular simulations in many contexts, thus showing promise to estimate viscosity too in a relatively inexpensive manner. However, ML methods face significant challenges like overfitting when the size of the data set is small, as is the case with viscosity. In this work, we train several ML models to predict the shear viscosity of a Lennard-Jones (LJ) fluid, with particular emphasis on addressing issues arising from a small data set. Specifically, the issues related to model selection, performance estimation and uncertainty quantification were investigated. First, we show that the widely used performance estimation procedure of using a single unseen data set shows a wide variability on small data sets. In this context, the common practice of using Cross validation (CV) to select the hyperparameters (model selection) can be adapted to estimate the generalization error (performance estimation) as well. We compare two simple CV procedures for their ability to do both model selection and performance estimation, and find that k-fold CV based procedure shows a lower variance of error estimates. We discuss the role of performance metrics in training and evaluation. Finally, Gaussian Process Regression (GPR) and ensemble methods were used to estimate the uncertainty on individual predictions. The uncertainty estimates from GPR were also used to construct an applicability domain using which the ML models provided more reliable predictions on another small data set generated in this work. Overall, the procedures prescribed in this work, together, lead to robust ML models for small data sets.

In this paper, we propose a method to identify identical commodities. In e-commerce scenarios, commodities are usually described by both images and text. By definition, identical commodities are those that have identical key attributes and are cognitively identical to consumers. There are two main challenges: 1) The extraction and fusion of multi-modal representation. 2) The ability to verify whether two commodities are identical by comparing the distance between representations with a threshold. To address the above problems, we propose an end-to-end identical commodity verification method based on self-adaptive thresholds. We use a dual-stream network to extract commodity embeddings and threshold embeddings separately and then concatenate them to obtain commodity representation. Our method is able to obtain different thresholds according to different commodities while maintaining the indexability of the entire commodity representation. We experimentally validate the effectiveness of our multimodal feature fusion and the advantages of self-adaptive thresholds. Besides, our method achieves an F1 score of 0.8936 and takes the 3rd place on the leaderboard for the second task of the CCKS-2022 Knowledge Graph Evaluation for Digital Commerce Competition. Code and pretrained models are available at https://github.com/hanchenchen/CCKS2022-track2-solution.

Multilabel learning tackles the problem of associating a sample with multiple class labels. This work proposes a new ensemble method for managing multilabel classification: the core of the proposed approach combines a set of gated recurrent units and temporal convolutional neural networks trained with variants of the Adam optimization approach. Multiple Adam variants, including novel one proposed here, are compared and tested; these variants are based on the difference between present and past gradients, with step size adjusted for each parameter. The proposed neural network approach is also combined with Incorporating Multiple Clustering Centers (IMCC), which further boosts classification performance. Multiple experiments on nine data sets representing a wide variety of multilabel tasks demonstrate the robustness of our best ensemble, which is shown to outperform the state-of-the-art. The MATLAB code for generating the best ensembles in the experimental section will be available at https://github.com/LorisNanni.

Machine-learning-based models have recently gained traction as a way to overcome the slow downstream implementation process of FPGAs by building models that provide fast and accurate performance predictions. However, these models suffer from two main limitations: (1) training requires large amounts of data (features extracted from FPGA synthesis and implementation reports), which is cost-inefficient because of the time-consuming FPGA design cycle; (2) a model trained for a specific environment cannot predict for a new, unknown environment. In a cloud system, where getting access to platforms is typically costly, data collection for ML models can significantly increase the total cost-ownership (TCO) of a system. To overcome these limitations, we propose LEAPER, a transfer learning-based approach for FPGA-based systems that adapts an existing ML-based model to a new, unknown environment to provide fast and accurate performance and resource utilization predictions. Experimental results show that our approach delivers, on average, 85% accuracy when we use our transferred model for prediction in a cloud environment with 5-shot learning and reduces design-space exploration time by 10x, from days to only a few hours.

Modeling multi-agent systems requires understanding how agents interact. Such systems are often difficult to model because they can involve a variety of types of interactions that layer together to drive rich social behavioral dynamics. Here we introduce a method for accurately modeling multi-agent systems. We present Interaction Modeling with Multiplex Attention (IMMA), a forward prediction model that uses a multiplex latent graph to represent multiple independent types of interactions and attention to account for relations of different strengths. We also introduce Progressive Layer Training, a training strategy for this architecture. We show that our approach outperforms state-of-the-art models in trajectory forecasting and relation inference, spanning three multi-agent scenarios: social navigation, cooperative task achievement, and team sports. We further demonstrate that our approach can improve zero-shot generalization and allows us to probe how different interactions impact agent behavior.

Survival analysis, the art of time-to-event modeling, plays an important role in clinical treatment decisions. Recently, continuous time models built from neural ODEs have been proposed for survival analysis. However, the training of neural ODEs is slow due to the high computational complexity of neural ODE solvers. Here, we propose an efficient alternative for flexible continuous time models, called Survival Mixture Density Networks (Survival MDNs). Survival MDN applies an invertible positive function to the output of Mixture Density Networks (MDNs). While MDNs produce flexible real-valued distributions, the invertible positive function maps the model into the time-domain while preserving a tractable density. Using four datasets, we show that Survival MDN performs better than, or similarly to continuous and discrete time baselines on concordance, integrated Brier score and integrated binomial log-likelihood. Meanwhile, Survival MDNs are also faster than ODE-based models and circumvent binning issues in discrete models.

Chest computed tomography (CT) imaging adds valuable insight in the diagnosis and management of pulmonary infectious diseases, like tuberculosis (TB). However, due to the cost and resource limitations, only X-ray images may be available for initial diagnosis or follow up comparison imaging during treatment. Due to their projective nature, X-rays images may be more difficult to interpret by clinicians. The lack of publicly available paired X-ray and CT image datasets makes it challenging to train a 3D reconstruction model. In addition, Chest X-ray radiology may rely on different device modalities with varying image quality and there may be variation in underlying population disease spectrum that creates diversity in inputs. We propose shape induction, that is, learning the shape of 3D CT from X-ray without CT supervision, as a novel technique to incorporate realistic X-ray distributions during training of a reconstruction model. Our experiments demonstrate that this process improves both the perceptual quality of generated CT and the accuracy of down-stream classification of pulmonary infectious diseases.

Outlier-robust estimation is a fundamental problem and has been extensively investigated by statisticians and practitioners. The last few years have seen a convergence across research fields towards "algorithmic robust statistics", which focuses on developing tractable outlier-robust techniques for high-dimensional estimation problems. Despite this convergence, research efforts across fields have been mostly disconnected from one another. This paper bridges recent work on certifiable outlier-robust estimation for geometric perception in robotics and computer vision with parallel work in robust statistics. In particular, we adapt and extend recent results on robust linear regressions (applicable to the low-outlier case with > 50% outliers) to the setup commonly found in robotics and vision, where (i) variables (e.g., rotations, poses) belong to a non-convex domain, (ii) measurements are vector-valued, and (iii) the number of outliers is not known a priori. The emphasis here is on performance guarantees: rather than proposing new algorithms, we provide conditions on the input measurements under which modern estimation algorithms are guaranteed to recover an estimate close to the ground truth in the presence of outliers. These conditions are what we call an "estimation contract". Besides the proposed extensions of existing results, we believe the main contributions of this paper are (i) to unify parallel research lines by pointing out commonalities and differences, (ii) to introduce advanced material (e.g., sum-of-squares proofs) in an accessible and self-contained presentation for the practitioner, and (iii) to point out a few immediate opportunities and open questions in outlier-robust geometric perception.

We conduct the first comprehensive meta-analysis of deterministic solar forecasting based on skill score, screening 1,447 papers from Google Scholar and reviewing the full texts of 320 papers for data extraction. A database of 4,758 points was built and analyzed with multivariate adaptive regression spline modelling, partial dependence plots, and linear regression. Notably, the analysis accounts for the most important non-linear relationships and interaction terms in the data. We quantify the impacts on forecast accuracy of important variables such as forecast horizon, resolution, climate conditions, regions' annual solar irradiance level, power system size and capacity, forecast models, train and test sets, and the use of different techniques and inputs. By controlling for the key differences between forecasts, including location variables, the findings from the analysis can be applied globally. An overview of scientific progress in the field is also provided.

Autoencoding is a popular method in representation learning. Conventional autoencoders employ symmetric encoding-decoding procedures and a simple Euclidean latent space to detect hidden low-dimensional structures in an unsupervised way. This work introduces a chart autoencoder with an asymmetric encoding-decoding process that can incorporate additional semi-supervised information such as class labels. Besides enhancing the capability for handling data with complicated topological and geometric structures, these models can successfully differentiate nearby but disjoint manifolds and intersecting manifolds with only a small amount of supervision. Moreover, this model only requires a low complexity encoder, such as local linear projection. We discuss the theoretical approximation power of such networks that essentially depends on the intrinsic dimension of the data manifold and not the dimension of the observations. Our numerical experiments on synthetic and real-world data verify that the proposed model can effectively manage data with multi-class nearby but disjoint manifolds of different classes, overlapping manifolds, and manifolds with non-trivial topology.

This paper is concerned with online targeted advertising on social networks. The main technical task we address is to estimate the activation probability for user pairs, which quantifies the influence one user may have on another towards purchasing decisions. This is a challenging task because one marketing episode typically involves a multitude of marketing campaigns/strategies of different products for highly diverse customers. In this paper, we propose what we believe is the first tensor-based contextual bandit framework for online targeted advertising. The proposed framework is designed to accommodate any number of feature vectors in the form of multi-mode tensor, thereby enabling to capture the heterogeneity that may exist over user preferences, products, and campaign strategies in a unified manner. To handle inter-dependency of tensor modes, we introduce an online variational algorithm with a mean-field approximation. We empirically confirm that the proposed TensorUCB algorithm achieves a significant improvement in influence maximization tasks over the benchmarks, which is attributable to its capability of capturing the user-product heterogeneity.

Adversarial examples can be used to maliciously and covertly change a model's prediction. It is known that an adversarial example designed for one model can transfer to other models as well. This poses a major threat because it means that attackers can target systems in a blackbox manner. In the domain of transferability, researchers have proposed ways to make attacks more transferable and to make models more robust to transferred examples. However, to the best of our knowledge, there are no works which propose a means for ranking the transferability of an adversarial example in the perspective of a blackbox attacker. This is an important task because an attacker is likely to use only a select set of examples, and therefore will want to select the samples which are most likely to transfer. In this paper we suggest a method for ranking the transferability of adversarial examples without access to the victim's model. To accomplish this, we define and estimate the expected transferability of a sample given limited information about the victim. We also explore practical scenarios: where the adversary can select the best sample to attack and where the adversary must use a specific sample but can choose different perturbations. Through our experiments, we found that our ranking method can increase an attacker's success rate by up to 80% compared to the baseline (random selection without ranking).

Objective: Convolutional Neural Networks (CNNs) have shown great potential in the field of Brain-Computer Interface (BCI) due to their ability to directly process the raw Electroencephalogram (EEG) without artificial feature extraction. The raw EEG signal is usually represented as 2-Dimensional (2-D) matrix composed of channels and time points, which ignores the spatial topological information of EEG. Our goal is to make the CNN with the raw EEG signal as input have the ability to learn the EEG spatial topological features, and improve its classification performance while essentially maintaining its original structure. Methods: We propose an EEG Topographic Representation Module (TRM). This module consists of (1) a mapping block from the raw EEG signal to a 3-D topographic map and (2) a convolution block from the topographic map to an output of the same size as the input. We embed the TRM to 3 widely used CNNs, and tested them on 2 different types of publicly available datasets. Results: The results show that the classification accuracies of the 3 CNNs are improved on both datasets after using TRM. The average classification accuracies of DeepConvNet, EEGNet and ShallowConvNet with TRM are improved by 4.70\%, 1.29\% and 0.91\% on Emergency Braking During Simulated Driving Dataset (EBDSDD), and 2.83\%, 2.17\% and 2.00\% on High Gamma Dataset (HGD), respectively. Significance: By using TRM to mine the spatial topological features of EEG, we improve the classification performance of 3 CNNs on 2 datasets. In addition,since the output of TRM has the same size as the input, any CNN with the raw EEG signal as input can use this module without changing the original structure.

We consider the problem of sequentially optimizing a time-varying objective function using time-varying Bayesian optimization (TVBO). Here, the key challenge is to cope with old data. Current approaches to TVBO require prior knowledge of a constant rate of change. However, the rate of change is usually neither known nor constant. We propose an event-triggered algorithm, ET-GP-UCB, that detects changes in the objective function online. The event-trigger is based on probabilistic uniform error bounds used in Gaussian process regression. The trigger automatically detects when significant change in the objective functions occurs. The algorithm then adapts to the temporal change by resetting the accumulated dataset. We provide regret bounds for ET-GP-UCB and show in numerical experiments that it is competitive with state-of-the-art algorithms even though it requires no knowledge about the temporal changes. Further, ET-GP-UCB outperforms these competitive baselines if the rate of change is misspecified and we demonstrate that it is readily applicable to various settings without tuning hyperparameters.

Of particular interest is to discover useful representations solely from observations in an unsupervised generative manner. However, the question of whether existing normalizing flows provide effective representations for downstream tasks remains mostly unanswered despite their strong ability for sample generation and density estimation. This paper investigates this problem for such a family of generative models that admits exact invertibility. We propose Neural Principal Component Analysis (Neural-PCA) that operates in full dimensionality while capturing principal components in \emph{descending} order. Without exploiting any label information, the principal components recovered store the most informative elements in their \emph{leading} dimensions and leave the negligible in the \emph{trailing} ones, allowing for clear performance improvements of $5\%$-$10\%$ in downstream tasks. Such improvements are empirically found consistent irrespective of the number of latent trailing dimensions dropped. Our work suggests that necessary inductive bias be introduced into generative modelling when representation quality is of interest.

In this paper, we revisit the use of spectrograms in neural networks, by making the window length a continuous parameter optimizable by gradient descent instead of an empirically tuned integer-valued hyperparameter. The contribution is mostly theoretical at this point, but plugging the modified STFT into any existing neural network is straightforward. We first define a differentiable version of the STFT in the case where local bins centers are fixed and independent of the window length parameter. We then discuss the more difficult case where the window length affects the position and number of bins. We illustrate the benefits of this new tool on an estimation and a classification problems, showing it can be of interest not only to neural networks but to any STFT-based signal processing algorithm.

In order to identify a system (module) embedded in a dynamic network, one has to formulate a multiple-input estimation problem that necessitates certain nodes to be measured and included as predictor inputs. However, some of these nodes may not be measurable in many practical cases due to sensor selection and placement issues. This may result in biased estimates of the target module. Furthermore, the identification problem associated with the multiple-input structure may require determining a large number of parameters that are not of particular interest to the experimenter, with increased computational complexity in large-sized networks. In this paper, we tackle these problems by using a data augmentation strategy that allows us to reconstruct the missing node measurements and increase the accuracy of the estimated target module. To this end, we develop a system identification method using regularized kernel-based methods coupled with approximate inference methods. Keeping a parametric model for the module of interest, we model the other modules as Gaussian Processes (GP) with a kernel given by the so-called stable spline kernel. An Empirical Bayes (EB) approach is used to estimate the parameters of the target module. The related optimization problem is solved using an Expectation-Maximization (EM) method, where we employ a Markov-chain Monte Carlo (MCMC) technique to reconstruct the unknown missing node information and the network dynamics. Numerical simulations on dynamic network examples illustrate the potentials of the developed method.

Class imbalance, which is also called long-tailed distribution, is a common problem in classification tasks based on machine learning. If it happens, the minority data will be overwhelmed by the majority, which presents quite a challenge for data science. To address the class imbalance problem, researchers have proposed lots of methods: some people make the data set balanced (SMOTE), some others refine the loss function (Focal Loss), and even someone has noticed the value of labels influences class-imbalanced learning (Yang and Xu. Rethinking the value of labels for improving class-imbalanced learning. In NeurIPS 2020), but no one changes the way to encode the labels of data yet. Nowadays, the most prevailing technique to encode labels is the one-hot encoding due to its nice performance in the general situation. However, it is not a good choice for imbalanced data, because the classifier will treat majority and minority samples equally. In this paper, we innovatively propose the enhancement encoding technique, which is specially designed for the imbalanced classification. The enhancement encoding combines re-weighting and cost-sensitiveness, which can reflect the difference between hard and easy (or minority and majority) classes. In order to reduce the number of validation samples and the computation cost, we also replace the confusion matrix with the novel soft-confusion matrix which works better with a small validation set. In the experiments, we evaluate the enhancement encoding with three different types of loss. And the results show that enhancement encoding is very effective to improve the performance of the network trained with imbalanced data. Particularly, the performance on minority classes is much better.

Reinforcement Learning has recently surfaced as a very powerful tool to solve complex problems in the domain of board games, wherein an agent is generally required to learn complex strategies and moves based on its own experiences and rewards received. While RL has outperformed existing state-of-the-art methods used for playing simple video games and popular board games, it is yet to demonstrate its capability on ancient games. Here, we solve one such problem, where we train our agents using different methods namely Monte Carlo, Qlearning and Expected Sarsa to learn optimal policy to play the strategic Royal Game of Ur. The state space for our game is complex and large, but our agents show promising results at playing the game and learning important strategic moves. Although it is hard to conclude that when trained with limited resources which algorithm performs better overall, but Expected Sarsa shows promising results when it comes to fastest learning.

Intrusion detection for Controller Area Network (CAN) protocol requires modern methods in order to compete with other electrical architectures. Fingerprint Intrusion Detection Systems (IDS) provide a promising new approach to solve this problem. By characterizing network traffic from known ECUs, hazardous messages can be discriminated. In this article, a modified version of Fingerprint IDS is employed utilizing both step response and spectral characterization of network traffic via neural network training. With the addition of feature set reduction and hyperparameter tuning, this method accomplishes a 99.4% detection rate of trusted ECU traffic.

We present a static analysis for discovering differentiable or more generally smooth parts of a given probabilistic program, and show how the analysis can be used to improve the pathwise gradient estimator, one of the most popular methods for posterior inference and model learning. Our improvement increases the scope of the estimator from differentiable models to non-differentiable ones without requiring manual intervention of the user; the improved estimator automatically identifies differentiable parts of a given probabilistic program using our static analysis, and applies the pathwise gradient estimator to the identified parts while using a more general but less efficient estimator, called score estimator, for the rest of the program. Our analysis has a surprisingly subtle soundness argument, partly due to the misbehaviours of some target smoothness properties when viewed from the perspective of program analysis designers. For instance, some smoothness properties are not preserved by function composition, and this makes it difficult to analyse sequential composition soundly without heavily sacrificing precision. We formulate five assumptions on a target smoothness property, prove the soundness of our analysis under those assumptions, and show that our leading examples satisfy these assumptions. We also show that by using information from our analysis, our improved gradient estimator satisfies an important differentiability requirement and thus, under a mild regularity condition, computes the correct estimate on average, i.e., it returns an unbiased estimate. Our experiments with representative probabilistic programs in the Pyro language show that our static analysis is capable of identifying smooth parts of those programs accurately, and making our improved pathwise gradient estimator exploit all the opportunities for high performance in those programs.

Faster-than-Nyquist (FTN) signaling can improve the spectral efficiency (SE); however, at the expense of high computational complexity to remove the introduced intersymbol interference (ISI). Motivated by the recent success of ML in physical layer (PHY) problems, in this paper we investigate the use of ML in reducing the detection complexity of FTN signaling. In particular, we view the FTN signaling detection problem as a classification task, where the received signal is considered as an unlabeled class sample that belongs to a set of all possible classes samples. If we use an off-shelf classifier, then the set of all possible classes samples belongs to an $N$-dimensional space, where $N$ is the transmission block length, which has a huge computational complexity. We propose a low-complexity classifier (LCC) that exploits the ISI structure of FTN signaling to perform the classification task in $N_p \ll N$-dimension space. The proposed LCC consists of two stages: 1) offline pre-classification that constructs the labeled classes samples in the $N_p$-dimensional space and 2) online classification where the detection of the received samples occurs. The proposed LCC is extended to produce soft-outputs as well. Simulation results show the effectiveness of the proposed LCC in balancing performance and complexity.

Introduction: 12-lead electrocardiogram (ECG) is recorded during atrial fibrillation (AF) catheter ablation procedure (CAP). It is not easy to determine if CAP was successful without a long follow-up assessing for AF recurrence (AFR). Therefore, an AFR risk prediction algorithm could enable a better management of CAP patients. In this research, we extracted features from 12-lead ECG recorded before and after CAP and train an AFR risk prediction machine learning model. Methods: Pre- and post-CAP segments were extracted from 112 patients. The analysis included a signal quality criterion, heart rate variability and morphological biomarkers engineered from the 12-lead ECG (804 features overall). 43 out of the 112 patients (n) had AFR clinical endpoint available. These were utilized to assess the feasibility of AFR risk prediction, using either pre or post CAP features. A random forest classifier was trained within a nested cross validation framework. Results: 36 features were found statistically significant for distinguishing between the pre and post surgery states (n=112). For the classification, an area under the receiver operating characteristic (AUROC) curve was reported with AUROC_pre=0.64 and AUROC_post=0.74 (n=43). Discussion and conclusions: This preliminary analysis showed the feasibility of AFR risk prediction. Such a model could be used to improve CAP management.

Scour is the number one cause of bridge failure in many parts of the world. Considering the lack of reliability in existing empirical equations for scour depth estimation and the complexity and uncertainty of scour as a physical phenomenon, it is essential to develop more reliable solutions for scour risk assessment. This study introduces a novel AI approach for early forecast of scour based on real-time monitoring data obtained from sonar and stage sensors installed at bridge piers. Long-short Term Memory networks (LSTMs), a prominent Deep Learning algorithm successfully used for time-series forecasting in other fields, were developed and trained using river stage and bed elevation readings for more than 11 years obtained from Alaska scour monitoring program. The capability of the AI models in scour prediction is shown for three case-study bridges. Results show that LSTMs can capture the temporal and seasonal patterns of both flow and river bed variations around bridge piers, through cycles of scour and filling and can provide reasonable predictions of upcoming scour depth as early as seven days in advance. It is expected that the proposed solution can be implemented by transportation authorities for development of emerging AI-based early warning systems, enabling superior bridge scour management.  ( 2 min )

Speech signals contain a lot of sensitive information, such as the speaker's identity, which raises privacy concerns when speech data get collected. Speaker anonymization aims to transform a speech signal to remove the source speaker's identity while leaving the spoken content unchanged. Current methods perform the transformation by relying on content/speaker disentanglement and voice conversion. Usually, an acoustic model from an automatic speech recognition system extracts the content representation while an x-vector system extracts the speaker representation. Prior work has shown that the extracted features are not perfectly disentangled. This paper tackles how to improve features disentanglement, and thus the converted anonymized speech. We propose enhancing the disentanglement by removing speaker information from the acoustic model using vector quantization. Evaluation done using the VoicePrivacy 2022 toolkit showed that vector quantization helps conceal the original speaker identity while maintaining utility for speech recognition.  ( 2 min )

An inherent problem in reinforcement learning is coping with policies that are uncertain about what action to take (or the value of a state). Model uncertainty, more formally known as epistemic uncertainty, refers to the expected prediction error of a model beyond the sampling noise. In this paper, we propose a metric for epistemic uncertainty estimation in Q-value functions, which we term pathwise epistemic uncertainty. We further develop a method to compute its approximate upper bound, which we call F -value. We experimentally apply the latter to Deep Q-Networks (DQN) and show that uncertainty estimation in reinforcement learning serves as a useful indication of learning progress. We then propose a new approach to improving sample efficiency in actor-critic algorithms by learning from an existing (previously learned or hard-coded) oracle policy while uncertainty is high, aiming to avoid unproductive random actions during training. We term this Critic Confidence Guided Exploration (CCGE). We implement CCGE on Soft Actor-Critic (SAC) using our F-value metric, which we apply to a handful of popular Gym environments and show that it achieves better sample efficiency and total episodic reward than vanilla SAC in limited contexts.  ( 2 min )

Deep learning technologies have demonstrated remarkable effectiveness in a wide range of tasks, and deep learning holds the potential to advance a multitude of applications, including in edge computing, where deep models are deployed on edge devices to enable instant data processing and response. A key challenge is that while the application of deep models often incurs substantial memory and computational costs, edge devices typically offer only very limited storage and computational capabilities that may vary substantially across devices. These characteristics make it difficult to build deep learning solutions that unleash the potential of edge devices while complying with their constraints. A promising approach to addressing this challenge is to automate the design of effective deep learning models that are lightweight, require only a little storage, and incur only low computational overheads. This survey offers comprehensive coverage of studies of design automation techniques for deep learning models targeting edge computing. It offers an overview and comparison of key metrics that are used commonly to quantify the proficiency of models in terms of effectiveness, lightness, and computational costs. The survey then proceeds to cover three categories of the state-of-the-art of deep model design automation techniques: automated neural architecture search, automated model compression, and joint automated design and compression. Finally, the survey covers open issues and directions for future research.  ( 3 min )

Domain adaptation aims at aligning the labeled source domain and the unlabeled target domain, and most existing approaches assume the source data is accessible. Unfortunately, this paradigm raises concerns in data privacy and security. Recent studies try to dispel these concerns by the Source-Free setting, which adapts the source-trained model towards target domain without exposing the source data. However, the Source-Free paradigm is still at risk of data leakage due to adversarial attacks to the source model. Hence, the Black-Box setting is proposed, where only the outputs of source model can be utilized. In this paper, we address both the Source-Free adaptation and the Black-Box adaptation, proposing a novel method named better target representation from Frequency Mixup and Mutual Learning (FMML). Specifically, we introduce a new data augmentation technique as Frequency MixUp, which highlights task-relevant objects in the interpolations, thus enhancing class-consistency and linear behavior for target models. Moreover, we introduce a network regularization method called Mutual Learning to the domain adaptation problem. It transfers knowledge inside the target model via self-knowledge distillation and thus alleviates overfitting on the source domain by learning multi-scale target representations. Extensive experiments show that our method achieves state-of-the-art performance on several benchmark datasets under both settings.  ( 3 min )

Recent studies suggest that artificial neural networks (ANNs) that match the spectral properties of the mammalian visual cortex -- namely, the $\sim 1/n$ eigenspectrum of the covariance matrix of neural activities -- achieve higher object recognition performance and robustness to adversarial attacks than those that do not. To our knowledge, however, no previous work systematically explored how modifying the ANN's spectral properties affects performance. To fill this gap, we performed a systematic search over spectral regularizers, forcing the ANN's eigenspectrum to follow $1/n^\alpha$ power laws with different exponents $\alpha$. We found that larger powers (around 2--3) lead to better validation accuracy and more robustness to adversarial attacks on dense networks. This surprising finding applied to both shallow and deep networks and it overturns the notion that the brain-like spectrum (corresponding to $\alpha \sim 1$) always optimizes ANN performance and/or robustness. For convolutional networks, the best $\alpha$ values depend on the task complexity and evaluation metric: lower $\alpha$ values optimized validation accuracy and robustness to adversarial attack for networks performing a simple object recognition task (categorizing MNIST images of handwritten digits); for a more complex task (categorizing CIFAR-10 natural images), we found that lower $\alpha$ values optimized validation accuracy whereas higher $\alpha$ values optimized adversarial robustness. These results have two main implications. First, they cast doubt on the notion that brain-like spectral properties ($\alpha \sim 1$) \emph{always} optimize ANN performance. Second, they demonstrate the potential for fine-tuned spectral regularizers to optimize a chosen design metric, i.e., accuracy and/or robustness.  ( 3 min )

In today's modern digital world, we have a number of online Question and Answer platforms like Stack Exchange, Quora, and GFG that serve as a medium for people to communicate and help each other. In this paper, we analyzed the effectiveness of Stack Overflow in helping newbies to programming. Every user on this platform goes through a journey. For the first 12 months, we consider them to be a newbie. Post 12 months they come under one of the following categories: Experienced, Lurkers, or Inquisitive. Each question asked has tags assigned to it and we observe that questions with some specific tags have a faster response time indicating an active community in that field over others. The platform had a steady growth up to 2013 after which it started declining, but recently during the pandemic 2020, we can see rejuvenated activity on the platform.

Attention has become one of the most commonly used mechanisms in deep learning approaches. The attention mechanism can help the system focus more on the feature space's critical regions. For example, high amplitude regions can play an important role for Speech Emotion Recognition (SER). In this paper, we identify misalignments between the attention and the signal amplitude in the existing multi-head self-attention. To improve the attention area, we propose to use a Focus-Attention (FA) mechanism and a novel Calibration-Attention (CA) mechanism in combination with the multi-head self-attention. Through the FA mechanism, the network can detect the largest amplitude part in the segment. By employing the CA mechanism, the network can modulate the information flow by assigning different weights to each attention head and improve the utilization of surrounding contexts. To evaluate the proposed method, experiments are performed with the IEMOCAP and RAVDESS datasets. Experimental results show that the proposed framework significantly outperforms the state-of-the-art approaches on both datasets.  ( 2 min )

With the application of the fifth-generation wireless communication technologies, more smart terminals are being used and generating huge amounts of data, which has prompted extensive research on how to handle and utilize these wireless data. Researchers currently focus on the research on the upper-layer application data or studying the intelligent transmission methods concerning a specific problem based on a large amount of data generated by the Monte Carlo simulations. This article aims to understand the endogenous relationship of wireless data by constructing a knowledge graph according to the wireless communication protocols, and domain expert knowledge and further investigating the wireless endogenous intelligence. We firstly construct a knowledge graph of the endogenous factors of wireless core network data collected via a 5G/B5G testing network. Then, a novel model based on graph convolutional neural networks is designed to learn the representation of the graph, which is used to classify graph nodes and simulate the relation prediction. The proposed model realizes the automatic nodes classification and network anomaly cause tracing. It is also applied to the public datasets in an unsupervised manner. Finally, the results show that the classification accuracy of the proposed model is better than the existing unsupervised graph neural network models, such as VGAE and ARVGE.  ( 3 min )

Over the past few years, graph representation learning (GRL) has been a powerful strategy for analyzing graph-structured data. Recently, GRL methods have shown promising results by adopting self-supervised learning methods developed for learning representations of images. Despite their success, existing GRL methods tend to overlook an inherent distinction between images and graphs, i.e., images are assumed to be independently and identically distributed, whereas graphs exhibit relational information among data instances, i.e., nodes. To fully benefit from the relational information inherent in the graph-structured data, we propose a novel GRL method, called RGRL, that learns from the relational information generated from the graph itself. RGRL learns node representations such that the relationship among nodes is invariant to augmentations, i.e., augmentation-invariant relationship, which allows the node representations to vary as long as the relationship among the nodes is preserved. By considering the relationship among nodes in both global and local perspectives, RGRL overcomes limitations of previous contrastive and non-contrastive methods, and achieves the best of both worlds. Extensive experiments on fourteen benchmark datasets over various downstream tasks demonstrate the superiority of RGRL over state-of-the-art baselines. The source code for RGRL is available at https://github.com/Namkyeong/RGRL.  ( 2 min )

In this paper, we introduce a novel approach for systematically solving dataset condensation problem in an efficient manner by exploiting the regularity in a given dataset. Instead of condensing the dataset directly in the original input space, we assume a generative process of the dataset with a set of learnable codes defined in a compact latent space followed by a set of tiny decoders which maps them differently to the original input space. By combining different codes and decoders interchangeably, we can dramatically increase the number of synthetic examples with essentially the same parameter count, because the latent space is much lower dimensional and since we can assume as many decoders as necessary to capture different styles represented in the dataset with negligible cost. Such knowledge factorization allows efficient sharing of information between synthetic examples in a systematic way, providing far better trade-off between compression ratio and quality of the generated examples. We experimentally show that our method achieves new state-of-the-art records by significant margins on various benchmark datasets such as SVHN, CIFAR10, CIFAR100, and TinyImageNet.  ( 2 min )

Effective understanding of dynamically evolving multiagent interactions is crucial to capturing the underlying behavior of agents in social systems. It is usually challenging to observe these interactions directly, and therefore modeling the latent interactions is essential for realizing the complex behaviors. Recent work on Dynamic Neural Relational Inference (DNRI) captures explicit inter-agent interactions at every step. However, prediction at every step results in noisy interactions and lacks intrinsic interpretability without post-hoc inspection. Moreover, it requires access to ground truth annotations to analyze the predicted interactions, which are hard to obtain. This paper introduces DIDER, Discovering Interpretable Dynamically Evolving Relations, a generic end-to-end interaction modeling framework with intrinsic interpretability. DIDER discovers an interpretable sequence of inter-agent interactions by disentangling the task of latent interaction prediction into sub-interaction prediction and duration estimation. By imposing the consistency of a sub-interaction type over an extended time duration, the proposed framework achieves intrinsic interpretability without requiring any post-hoc inspection. We evaluate DIDER on both synthetic and real-world datasets. The experimental results demonstrate that modeling disentangled and interpretable dynamic relations improves performance on trajectory forecasting tasks.  ( 2 min )

Deep neural networks are usually initialized with random weights, with adequately selected initial variance to ensure stable signal propagation during training. However, selecting the appropriate variance becomes challenging especially as the number of layers grows. In this work, we replace random weight initialization with a fully deterministic initialization scheme, viz., ZerO, which initializes the weights of networks with only zeros and ones (up to a normalization factor), based on identity and Hadamard transforms. Through both theoretical and empirical studies, we demonstrate that ZerO is able to train networks without damaging their expressivity. Applying ZerO on ResNet achieves state-of-the-art performance on various datasets, including ImageNet, which suggests random weights may be unnecessary for network initialization. In addition, ZerO has many benefits, such as training ultra deep networks (without batch-normalization), exhibiting low-rank learning trajectories that result in low-rank and sparse solutions, and improving training reproducibility.  ( 2 min )

We propose estimators based on kernel ridge regression for nonparametric causal functions such as dose, heterogeneous, and incremental response curves. Treatment and covariates may be discrete or continuous in general spaces. Due to a decomposition property specific to the RKHS, our estimators have simple closed form solutions. We prove uniform consistency with improved finite sample rates, via original analysis of generalized kernel ridge regression. We extend our main results to counterfactual distributions and to causal functions identified by front and back door criteria. In nonlinear simulations with many covariates, we achieve state-of-the-art performance.  ( 2 min )

Understanding the effect of a particular treatment or a policy pertains to many areas of interest, ranging from political economics, marketing to healthcare. In this paper, we develop a non-parametric algorithm for detecting the effects of treatment over time in the context of Synthetic Controls. The method builds on counterfactual predictions from many algorithms without necessarily assuming that the algorithms correctly capture the model. We introduce an inferential procedure for detecting treatment effects and show that the testing procedure is asymptotically valid for stationary, beta mixing processes without imposing any restriction on the set of base algorithms under consideration. We discuss consistency guarantees for average treatment effect estimates and derive regret bounds for the proposed methodology. The class of algorithms may include Random Forest, Lasso, or any other machine-learning estimator. Numerical studies and an application illustrate the advantages of the method.

We study offline reinforcement learning under a novel model called strategic MDP, which characterizes the strategic interactions between a principal and a sequence of myopic agents with private types. Due to the bilevel structure and private types, strategic MDP involves information asymmetry between the principal and the agents. We focus on the offline RL problem, where the goal is to learn the optimal policy of the principal concerning a target population of agents based on a pre-collected dataset that consists of historical interactions. The unobserved private types confound such a dataset as they affect both the rewards and observations received by the principal. We propose a novel algorithm, Pessimistic policy Learning with Algorithmic iNstruments (PLAN), which leverages the ideas of instrumental variable regression and the pessimism principle to learn a near-optimal principal's policy in the context of general function approximation. Our algorithm is based on the critical observation that the principal's actions serve as valid instrumental variables. In particular, under a partial coverage assumption on the offline dataset, we prove that PLAN outputs a $1 / \sqrt{K}$-optimal policy with $K$ being the number of collected trajectories. We further apply our framework to some special cases of strategic MDP, including strategic regression, strategic bandit, and noncompliance in recommendation systems.

Recent studies have shown that deep neural networks (DNNs) are vulnerable to adversarial attacks, including evasion and backdoor (poisoning) attacks. On the defense side, there have been intensive efforts on improving both empirical and provable robustness against evasion attacks; however, the provable robustness against backdoor attacks still remains largely unexplored. In this paper, we focus on certifying the machine learning model robustness against general threat models, especially backdoor attacks. We first provide a unified framework via randomized smoothing techniques and show how it can be instantiated to certify the robustness against both evasion and backdoor attacks. We then propose the first robust training process, RAB, to smooth the trained model and certify its robustness against backdoor attacks. We prove the robustness bound for machine learning models trained with RAB and prove that our robustness bound is tight. In addition, we theoretically show that it is possible to train the robust smoothed models efficiently for simple models such as K-nearest neighbor classifiers, and we propose an exact smooth-training algorithm that eliminates the need to sample from a noise distribution for such models. Empirically, we conduct comprehensive experiments for different machine learning (ML) models such as DNNs, support vector machines, and K-NN models on MNIST, CIFAR-10, and ImageNette datasets and provide the first benchmark for certified robustness against backdoor attacks. In addition, we evaluate K-NN models on a spambase tabular dataset to demonstrate the advantages of the proposed exact algorithm. Both the theoretic analysis and the comprehensive evaluation on diverse ML models and datasets shed light on further robust learning strategies against general training time attacks.

We propose estimators based on kernel ridge regression for nonparametric causal functions such as dose, heterogeneous, and incremental response curves. Treatment and covariates may be discrete or continuous in general spaces. Due to a decomposition property specific to the RKHS, our estimators have simple closed form solutions. We prove uniform consistency with improved finite sample rates, via original analysis of generalized kernel ridge regression. We extend our main results to counterfactual distributions and to causal functions identified by front and back door criteria. In nonlinear simulations with many covariates, we achieve state-of-the-art performance.

We propose simple estimators for mediation analysis and dynamic treatment effects over short horizons, which preserve the nonlinearity, dependence, and effect modification of identification theory. We allow treatments, mediators, and covariates to be discrete or continuous in general spaces. Across this broad variety of data settings, the estimators have closed form solutions in terms of kernel matrix operations due to our algorithmic innovation: sequential mean embedding of the mediator and covariate conditional distributions given a hypothetical treatment sequence. The simple estimators have strong guarantees. For the continuous treatment case, we prove uniform consistency with finite sample rates that match the minimax optimal rate for standard kernel ridge regression. For the discrete treatment case, we prove $n^{-1/2}$ consistency, finite sample Gaussian approximation, and semiparametric efficiency. We extend the analysis to incremental effects and counterfactual distributions, identifying and estimating new causal estimands. In nonlinear simulations with many covariates, we demonstrate state-of-the-art performance. We estimate mediated and dynamic treatment effects of the US Job Corps program for disadvantaged youth, and share a cleaned data set that may serve as a benchmark in future work.

In this paper, we consider to improve the stochastic variance reduce gradient (SVRG) method via incorporating the curvature information of the objective function. We propose to reduce the variance of stochastic gradients using the computationally efficient Barzilai-Borwein (BB) method by incorporating it into the SVRG. We also incorporate a BB-step size as its variant. We prove its linear convergence theorem that works not only for the proposed method but also for the other existing variants of SVRG with second-order information. We conduct the numerical experiments on the benchmark datasets and show that the proposed method with constant step size performs better than the existing variance reduced methods for some test problems.

We introduce a novel way to combine boosting with Gaussian process and mixed effects models. This allows for relaxing, first, the zero or linearity assumption for the prior mean function in Gaussian process and grouped random effects models in a flexible non-parametric way and, second, the independence assumption made in most boosting algorithms. The former is advantageous for prediction accuracy and for avoiding model misspecifications. The latter is important for efficient learning of the fixed effects predictor function and for obtaining probabilistic predictions. Our proposed algorithm is also a novel solution for handling high-cardinality categorical variables in tree-boosting. In addition, we present an extension that scales to large data using a Vecchia approximation for the Gaussian process model relying on novel results for covariance parameter inference. We obtain increased prediction accuracy compared to existing approaches on several simulated and real-world data sets.

Predicting sets of outcomes -- instead of unique outcomes -- is a promising solution to uncertainty quantification in statistical learning. Despite a rich literature on constructing prediction sets with statistical guarantees, adapting to unknown covariate shift -- a prevalent issue in practice -- poses a serious unsolved challenge. In this paper, we show that prediction sets with finite-sample coverage guarantee are uninformative and propose a novel flexible distribution-free method, PredSet-1Step, to efficiently construct prediction sets with an asymptotic coverage guarantee under unknown covariate shift. We formally show that our method is \textit{asymptotically probably approximately correct}, having well-calibrated coverage error with high confidence for large samples. We illustrate that it achieves nominal coverage in a number of experiments and a data set concerning HIV risk prediction in a South African cohort study. Our theory hinges on a new bound for the convergence rate of the coverage of Wald confidence intervals based on general asymptotically linear estimators.

Federated Learning (FL) is a variant of distributed learning where edge devices collaborate to learn a model without sharing their data with the central server or each other. We refer to the process of training multiple independent models simultaneously in a federated setting using a common pool of clients as multi-model FL. In this work, we propose two variants of the popular FedAvg algorithm for multi-model FL, with provable convergence guarantees. We further show that for the same amount of computation, multi-model FL can have better performance than training each model separately. We supplement our theoretical results with experiments in strongly convex, convex, and non-convex settings.

The Lasso is a method for high-dimensional regression, which is now commonly used when the number of covariates $p$ is of the same order or larger than the number of observations $n$. Classical asymptotic normality theory does not apply to this model due to two fundamental reasons: $(1)$ The regularized risk is non-smooth; $(2)$ The distance between the estimator $\widehat{\boldsymbol{\theta}}$ and the true parameters vector $\boldsymbol{\theta}^*$ cannot be neglected. As a consequence, standard perturbative arguments that are the traditional basis for asymptotic normality fail. On the other hand, the Lasso estimator can be precisely characterized in the regime in which both $n$ and $p$ are large and $n/p$ is of order one. This characterization was first obtained in the case of Gaussian designs with i.i.d. covariates: here we generalize it to Gaussian correlated designs with non-singular covariance structure. This is expressed in terms of a simpler ``fixed-design'' model. We establish non-asymptotic bounds on the distance between the distribution of various quantities in the two models, which hold uniformly over signals $\boldsymbol{\theta}^*$ in a suitable sparsity class and over values of the regularization parameter. As an application, we study the distribution of the debiased Lasso and show that a degrees-of-freedom correction is necessary for computing valid confidence intervals.

Understanding the computational complexity of training simple neural networks with rectified linear units (ReLUs) has recently been a subject of intensive research. Closing gaps and complementing results from the literature, we present several results on the parameterized complexity of training two-layer ReLU networks with respect to various loss functions. After a brief discussion of other parameters, we focus on analyzing the influence of the dimension $d$ of the training data on the computational complexity. We provide running time lower bounds in terms of W[1]-hardness for parameter $d$ and prove that known brute-force strategies are essentially optimal (assuming the Exponential Time Hypothesis). In comparison with previous work, our results hold for a broad(er) range of loss functions, including $\ell^p$-loss for all $p\in[0,\infty]$. In particular, we extend a known polynomial-time algorithm for constant $d$ and convex loss functions to a more general class of loss functions, matching our running time lower bounds also in these cases.

This paper develops novel conformal methods to test whether a new observation was sampled from the same distribution as a reference set. Blending inductive and transductive conformal inference in an innovative way, the described methods can re-weight standard conformal p-values based on dependent side information from known out-of-distribution data in a principled way, and can automatically take advantage of the most powerful model from any collection of one-class and binary classifiers. The solution can be implemented either through sample splitting or via a novel transductive cross-validation+ scheme which may also be useful in other applications of conformal inference, due to tighter guarantees compared to existing cross-validation approaches. After studying false discovery rate control and power within a multiple testing framework with several possible outliers, the proposed solution is shown to outperform standard conformal p-values through simulations as well as applications to image recognition and tabular data.

In this paper, we revisit the use of spectrograms in neural networks, by making the window length a continuous parameter optimizable by gradient descent instead of an empirically tuned integer-valued hyperparameter. The contribution is mostly theoretical at this point, but plugging the modified STFT into any existing neural network is straightforward. We first define a differentiable version of the STFT in the case where local bins centers are fixed and independent of the window length parameter. We then discuss the more difficult case where the window length affects the position and number of bins. We illustrate the benefits of this new tool on an estimation and a classification problems, showing it can be of interest not only to neural networks but to any STFT-based signal processing algorithm.

We study online convex optimization with constraints consisting of multiple functional constraints and a relatively simple constraint set, such as a Euclidean ball. As enforcing the constraints at each time step through projections is computationally challenging in general, we allow decisions to violate the functional constraints but aim to achieve a low regret and cumulative violation of the constraints over a horizon of $T$ time steps. First-order methods achieve an $\mathcal{O}(\sqrt{T})$ regret and an $\mathcal{O}(1)$ constraint violation, which is the best-known bound, but do not take into account the structural information of the problem. Furthermore, the existing algorithms and analysis are limited to Euclidean space. In this paper, we provide an \emph{instance-dependent} bound for online convex optimization with complex constraints obtained by a novel online primal-dual mirror-prox algorithm. Our instance-dependent regret is quantified by the total gradient variation $V_*(T)$ in the sequence of loss functions. The proposed algorithm works in \emph{general} non-Euclidean spaces and simultaneously achieves an $\mathcal{O}(\sqrt{V_*(T)})$ regret and an $\mathcal{O}(1)$ constraint violation, which is never worse than the best-known $( \mathcal{O}(\sqrt{T}), \mathcal{O}(1) )$ result and improves over previous works that applied mirror-prox-type algorithms for this problem achieving $\mathcal{O}(T^{2/3})$ regret and constraint violation. Finally, our algorithm is computationally efficient, as it only performs mirror descent steps in each iteration instead of solving a general Lagrangian minimization problem.

Circadian rhythmicity lies at the center of various important physiological and behavioral processes in mammals, such as sleep, metabolism, homeostasis, mood changes and more. It has been shown that this rhythm arises from self-sustained biomolecular oscillations of a neuronal network located in the Suprachiasmatic Nucleus (SCN). Under normal circumstances, this network remains synchronized to the day-night cycle due to signaling from the retina. Misalignment of these neuronal oscillations with the external light signal can disrupt numerous physiological functions and take a long-lasting toll on health and well-being. In this work, we study a modern computational neuroscience model to determine the limits of circadian synchronization to external light signals of different frequency and duty cycle. We employ a matrix-free approach to locate periodic steady states of the high-dimensional model for various driving conditions. Our algorithmic pipeline enables numerical continuation and construction of bifurcation diagrams w.r.t. forcing parameters. We computationally explore the effect of heterogeneity in the circadian neuronal network, as well as the effect of corrective therapeutic interventions, such as that of the drug molecule Longdaysin. Lastly, we employ unsupervised learning to construct a data-driven embedding space for representing neuronal heterogeneity.

This work tackles the problem of characterizing and understanding the decision boundaries of neural networks with piecewise linear non-linearity activations. We use tropical geometry, a new development in the area of algebraic geometry, to characterize the decision boundaries of a simple network of the form (Affine, ReLU, Affine). Our main finding is that the decision boundaries are a subset of a tropical hypersurface, which is intimately related to a polytope formed by the convex hull of two zonotopes. The generators of these zonotopes are functions of the network parameters. This geometric characterization provides new perspectives to three tasks. (i) We propose a new tropical perspective to the lottery ticket hypothesis, where we view the effect of different initializations on the tropical geometric representation of a network's decision boundaries. (ii) Moreover, we propose new tropical based optimization reformulations that directly influence the decision boundaries of the network for the task of network pruning. (iii) At last, we discuss the reformulation of the generation of adversarial attacks in a tropical sense. We demonstrate that one can construct adversaries in a new tropical setting by perturbing a specific set of decision boundaries by perturbing a set of parameters in the network.

We address the problem of how to achieve optimal inference in distributed quantile regression without stringent scaling conditions. This is challenging due to the non-smooth nature of the quantile regression (QR) loss function, which invalidates the use of existing methodology. The difficulties are resolved through a double-smoothing approach that is applied to the local (at each data source) and global objective functions. Despite the reliance on a delicate combination of local and global smoothing parameters, the quantile regression model is fully parametric, thereby facilitating interpretation. In the low-dimensional regime, we establish a finite-sample theoretical framework for the sequentially defined distributed QR estimators. This reveals a trade-off between the communication cost and statistical error. We further discuss and compare several alternative confidence set constructions, based on inversion of Wald and score-type tests and resampling techniques, detailing an improvement that is effective for more extreme quantile coefficients. In high dimensions, a sparse framework is adopted, where the proposed doubly-smoothed objective function is complemented with an $\ell_1$-penalty. We show that the corresponding distributed penalized QR estimator achieves the global convergence rate after a near-constant number of communication rounds. A thorough simulation study further elucidates our findings.

Machine and deep learning survival models demonstrate similar or even improved time-to-event prediction capabilities compared to classical statistical learning methods yet are too complex to be interpreted by humans. Several model-agnostic explanations are available to overcome this issue; however, none directly explain the survival function prediction. In this paper, we introduce SurvSHAP(t), the first time-dependent explanation that allows for interpreting survival black-box models. It is based on SHapley Additive exPlanations with solid theoretical foundations and a broad adoption among machine learning practitioners. The proposed methods aim to enhance precision diagnostics and support domain experts in making decisions. Experiments on synthetic and medical data confirm that SurvSHAP(t) can detect variables with a time-dependent effect, and its aggregation is a better determinant of the importance of variables for a prediction than SurvLIME. SurvSHAP(t) is model-agnostic and can be applied to all models with functional output. We provide an accessible implementation of time-dependent explanations in Python at this http URL .

pystacked implements stacked generalization (Wolpert, 1992) for regression and binary classification via Python's scikit-lear}. Stacking combines multiple supervised machine learners -- the "base" or "level-0" learners -- into a single learner. The currently supported base learners include regularized regression, random forest, gradient boosted trees, support vector machines, and feed-forward neural nets (multi-layer perceptron). pystacked can also be used with as a `regular' machine learning program to fit a single base learner and, thus, provides an easy-to-use API for scikit-learn's machine learning algorithms.

We introduce a method for embedding graphs as vectors in a structure-preserving manner. In this paper, we showcase its rich representational capacity and give some theoretical properties of our method. In particular, our procedure falls under the bind-and-sum approach, and we show that our binding operation -- the tensor product -- is the most general binding operation that respects the principle of superposition. Similarly, we show that the spherical code achieves optimal compression. We then establish some precise results characterizing the performance our method as well as some experimental results showcasing how it can accurately perform various graph operations even when the number of edges is quite large. Finally, we conclude with establishing a link to adjacency matrices, showing that our method is, in some sense, a generalization of adjacency matrices with applications towards large sparse graphs.

More data helps us generalize to a task. But real datasets can contain out-of-distribution (OOD) data; this can come in the form of heterogeneity such as intra-class variability but also in the form of temporal shifts or concept drifts. We demonstrate a counter-intuitive phenomenon for such problems: generalization error of the task can be a non-monotonic function of the number of OOD samples; a small number of OOD samples can improve generalization but if the number of OOD samples is beyond a threshold, then the generalization error can deteriorate. We also show that if we know which samples are OOD, then using a weighted objective between the target and OOD samples ensures that the generalization error decreases monotonically. We demonstrate and analyze this issue using linear classifiers on synthetic datasets and medium-sized neural networks on CIFAR-10.

We consider the problem of approximating a function in general nonlinear subsets of L2 when only a weighted Monte Carlo estimate of the L2-norm can be computed. Of particular interest in this setting is the concept of sample complexity, the number of sample points that are necessary to achieve a prescribed error with high probability. Reasonable worst-case bounds for this quantity exist only for particular subsets of L2, like linear spaces or sets of sparse vectors. For more general subsets, like tensor networks, the currently existing bounds are very pessimistic. By restricting the model class to a neighbourhood of the best approximation, we can derive improved worst-case bounds for the sample complexity. When the considered neighbourhood is a manifold with positive local reach, the sample complexity can be estimated by the sample complexity of the tangent space and the product of the sample complexity of the normal space and the manifold's curvature.

The most popular methods for measuring importance of the variables in a black box prediction algorithm make use of synthetic inputs that combine predictor variables from multiple subjects. These inputs can be unlikely, physically impossible, or even logically impossible. As a result, the predictions for such cases can be based on data very unlike any the black box was trained on. We think that users cannot trust an explanation of the decision of a prediction algorithm when the explanation uses such values. Instead we advocate a method called Cohort Shapley that is grounded in economic game theory and unlike most other game theoretic methods, it uses only actually observed data to quantify variable importance. Cohort Shapley works by narrowing the cohort of subjects judged to be similar to a target subject on one or more features. A feature is important if using it to narrow the cohort makes a large difference to the cohort mean. We illustrate it on an algorithmic fairness problem where it is essential to attribute importance to protected variables that the model was not trained on. For every subject and every predictor variable, we can compute the importance of that predictor to the subject's predicted response or to their actual response. These values can be aggregated, for example over all Black subjects, and we propose a Bayesian bootstrap to quantify uncertainty in both individual and aggregate Shapley values.

Great advances in deep neural networks (DNNs) have led to state-of-the-art performance on a wide range of tasks. However, recent studies have shown that DNNs are vulnerable to adversarial attacks, which have brought great concerns when deploying these models to safety-critical applications such as autonomous driving. Different defense approaches have been proposed against adversarial attacks, including: a) empirical defenses, which can usually be adaptively attacked again without providing robustness certification; and b) certifiably robust approaches, which consist of robustness verification providing the lower bound of robust accuracy against any attacks under certain conditions and corresponding robust training approaches. In this paper, we systematize certifiably robust approaches and related practical and theoretical implications and findings. We also provide the first comprehensive benchmark on existing robustness verification and training approaches on different datasets. In particular, we 1) provide a taxonomy for the robustness verification and training approaches, as well as summarize the methodologies for representative algorithms, 2) reveal the characteristics, strengths, limitations, and fundamental connections among these approaches, 3) discuss current research progresses, theoretical barriers, main challenges, and future directions for certifiably robust approaches for DNNs, and 4) provide an open-sourced unified platform to evaluate 20+ representative certifiably robust approaches.

We consider the problem of sequentially optimizing a time-varying objective function using time-varying Bayesian optimization (TVBO). Here, the key challenge is to cope with old data. Current approaches to TVBO require prior knowledge of a constant rate of change. However, the rate of change is usually neither known nor constant. We propose an event-triggered algorithm, ET-GP-UCB, that detects changes in the objective function online. The event-trigger is based on probabilistic uniform error bounds used in Gaussian process regression. The trigger automatically detects when significant change in the objective functions occurs. The algorithm then adapts to the temporal change by resetting the accumulated dataset. We provide regret bounds for ET-GP-UCB and show in numerical experiments that it is competitive with state-of-the-art algorithms even though it requires no knowledge about the temporal changes. Further, ET-GP-UCB outperforms these competitive baselines if the rate of change is misspecified and we demonstrate that it is readily applicable to various settings without tuning hyperparameters.

Active inference offers a principled account of behavior as minimizing average sensory surprise over time. Applications of active inference to control problems have heretofore tended to focus on finite-horizon or discounted-surprise problems, despite deriving from the infinite-horizon, average-surprise imperative of the free-energy principle. Here we derive an infinite-horizon, average-surprise formulation of active inference from optimal control principles. Our formulation returns to the roots of active inference in neuroanatomy and neurophysiology, formally reconnecting active inference to optimal feedback control. Our formulation provides a unified objective functional for sensorimotor control and allows for reference states to vary over time.

We consider the problem of demand-side energy management, where each household is equipped with a smart meter that is able to schedule home appliances online. The goal is to minimize the overall cost under a real-time pricing scheme. While previous works have introduced centralized approaches in which the scheduling algorithm has full observability, we propose the formulation of a smart grid environment as a Markov game. Each household is a decentralized agent with partial observability, which allows scalability and privacy-preservation in a realistic setting. The grid operator produces a price signal that varies with the energy demand. We propose an extension to a multi-agent, deep actor-critic algorithm to address partial observability and the perceived non-stationarity of the environment from the agent's viewpoint. This algorithm learns a centralized critic that coordinates training of decentralized agents. Our approach thus uses centralized learning but decentralized execution. Simulation results show that our online deep reinforcement learning method can reduce both the peak-to-average ratio of total energy consumed and the cost of electricity for all households based purely on instantaneous observations and a price signal.  ( 3 min )

We introduce a new empirical Bayes approach for large-scale multiple linear regression. Our approach combines two key ideas: (i) the use of flexible "adaptive shrinkage" priors, which approximate the nonparametric family of scale mixture of normal distributions by a finite mixture of normal distributions; and (ii) the use of variational approximations to efficiently estimate prior hyperparameters and compute approximate posteriors. Combining these two ideas results in fast and flexible methods, with computational speed comparable to fast penalized regression methods such as the Lasso, and with superior prediction accuracy across a wide range of scenarios. Furthermore, we show that the posterior mean from our method can be interpreted as solving a penalized regression problem, with the precise form of the penalty function being learned from the data by directly solving an optimization problem (rather than being tuned by cross-validation). Our methods are implemented in an R package, mr.ash.alpha, available from https://github.com/stephenslab/mr.ash.alpha  ( 2 min )

In this paper we propose a lightning fast graph embedding method called one-hot graph encoder embedding. It has a linear computational complexity and the capacity to process billions of edges within minutes on standard PC -- making it an ideal candidate for huge graph processing. It is applicable to either adjacency matrix or graph Laplacian, and can be viewed as a transformation of the spectral embedding. Under random graph models, the graph encoder embedding is approximately normally distributed per vertex, and asymptotically converges to its mean. We showcase three applications: vertex classification, vertex clustering, and graph bootstrap. In every case, the graph encoder embedding exhibits unrivalled computational advantages.  ( 2 min )

Researchers have proposed a wide variety of model explanation approaches, but it remains unclear how most methods are related or when one method is preferable to another. We examine the literature and find that many methods are based on a shared principle of explaining by removing - essentially, measuring the impact of removing sets of features from a model. These methods vary in several respects, so we develop a framework for removal-based explanations that characterizes each method along three dimensions: 1) how the method removes features, 2) what model behavior the method explains, and 3) how the method summarizes each feature's influence. Our framework unifies 26 existing methods, including several of the most widely used approaches (SHAP, LIME, Meaningful Perturbations, permutation tests). Exposing the fundamental similarities between these methods empowers users to reason about which tools to use, and suggests promising directions for ongoing model explainability research.  ( 2 min )

Survival analysis, the art of time-to-event modeling, plays an important role in clinical treatment decisions. Recently, continuous time models built from neural ODEs have been proposed for survival analysis. However, the training of neural ODEs is slow due to the high computational complexity of neural ODE solvers. Here, we propose an efficient alternative for flexible continuous time models, called Survival Mixture Density Networks (Survival MDNs). Survival MDN applies an invertible positive function to the output of Mixture Density Networks (MDNs). While MDNs produce flexible real-valued distributions, the invertible positive function maps the model into the time-domain while preserving a tractable density. Using four datasets, we show that Survival MDN performs better than, or similarly to continuous and discrete time baselines on concordance, integrated Brier score and integrated binomial log-likelihood. Meanwhile, Survival MDNs are also faster than ODE-based models and circumvent binning issues in discrete models.  ( 2 min )

We present a scalable post-processing algorithm for debiasing trained models, including deep neural networks (DNNs), which we prove to be near-optimal by bounding its excess Bayes risk. We empirically validate its advantages on standard benchmark datasets across both classical algorithms as well as modern DNN architectures and demonstrate that it outperforms previous post-processing methods while performing on par with in-processing. In addition, we show that the proposed algorithm is particularly effective for models trained at scale where post-processing is a natural and practical choice.  ( 2 min )

The development of safety-oriented research ideas and applications requires fine-grained vehicle trajectory data that not only has high accuracy but also captures a substantial number of critical safety events. This paper introduces the CitySim Dataset, which was devised with a core objective of facilitating safety-based research and applications. CitySim has vehicle trajectories extracted from 1140-minutes of drone videos recorded at 12 different locations. It covers a variety of road geometries including freeway basic segments, weaving segments, expressway merge/diverge segments, signalized intersections, stop-controlled intersections, and intersections without sign/signal control. CitySim trajectories were generated through a five-step procedure which ensured the trajectory accuracy. Furthermore, the dataset provides vehicle rotated bounding box information which is demonstrated to improve safety evaluation. Compared to other video-based trajectory datasets, the CitySim Dataset has significantly more critical safety events with higher severity including cut-in, merge, and diverge events. In addition, CitySim facilitates research towards digital twin applications by providing relevant assets like the recording locations'3D base maps and signal timings. These features enable more comprehensive conditions for safety research and applications such as autonomous vehicle safety and location-based safety analysis. The dataset is available online at https://github.com/ozheng1993/UCF-SST-CitySim-Dataset.  ( 2 min )

Identifying reaction coordinates(RCs) is an active area of research, given the crucial role RCs play in determining the progress of a chemical reaction. The choice of the reaction coordinate is often based on heuristic knowledge. However, an essential criterion for the choice is that the coordinate should capture both the reactant and product states unequivocally. Also, the coordinate should be the slowest one so that all the other degrees of freedom can easily equilibrate along the reaction coordinate. Also, the coordinate should be the slowest one so that all the other degrees of freedom can easily equilibrate along the reaction coordinate. We used a regularised sparse autoencoder, an energy-based model, to discover a crucial set of reaction coordinates. Along with discovering reaction coordinates, our model also predicts the evolution of a molecular dynamics(MD) trajectory. We showcased that including sparsity enforcing regularisation helps in choosing a small but important set of reaction coordinates. We used two model systems to demonstrate our approach: alanine dipeptide system and proflavine and DNA system, which exhibited intercalation of proflavine into DNA minor groove in an aqueous environment. We model MD trajectory as a multivariate time series, and our latent variable model performs the task of multi-step time series prediction. This idea is inspired by the popular sparse coding approach - to represent each input sample as a linear combination of few elements taken from a set of representative patterns.  ( 3 min )

Kernel methods in Quantum Machine Learning (QML) have recently gained significant attention as a potential candidate for achieving a quantum advantage in data analysis. Among other attractive properties, when training a kernel-based model one is guaranteed to find the optimal model's parameters due to the convexity of the training landscape. However, this is based on the assumption that the quantum kernel can be efficiently obtained from a quantum hardware. In this work we study the trainability of quantum kernels from the perspective of the resources needed to accurately estimate kernel values. We show that, under certain conditions, values of quantum kernels over different input data can be exponentially concentrated (in the number of qubits) towards some fixed value, leading to an exponential scaling of the number of measurements required for successful training. We identify four sources that can lead to concentration including: the expressibility of data embedding, global measurements, entanglement and noise. For each source, an associated concentration bound of quantum kernels is analytically derived. Lastly, we show that when dealing with classical data, training a parametrized data embedding with a kernel alignment method is also susceptible to exponential concentration. Our results are verified through numerical simulations for several QML tasks. Altogether, we provide guidelines indicating that certain features should be avoided to ensure the efficient evaluation and the trainability of quantum kernel methods.  ( 3 min )

Outlier-robust estimation is a fundamental problem and has been extensively investigated by statisticians and practitioners. The last few years have seen a convergence across research fields towards "algorithmic robust statistics", which focuses on developing tractable outlier-robust techniques for high-dimensional estimation problems. Despite this convergence, research efforts across fields have been mostly disconnected from one another. This paper bridges recent work on certifiable outlier-robust estimation for geometric perception in robotics and computer vision with parallel work in robust statistics. In particular, we adapt and extend recent results on robust linear regressions (applicable to the low-outlier case with > 50% outliers) to the setup commonly found in robotics and vision, where (i) variables (e.g., rotations, poses) belong to a non-convex domain, (ii) measurements are vector-valued, and (iii) the number of outliers is not known a priori. The emphasis here is on performance guarantees: rather than proposing new algorithms, we provide conditions on the input measurements under which modern estimation algorithms are guaranteed to recover an estimate close to the ground truth in the presence of outliers. These conditions are what we call an "estimation contract". Besides the proposed extensions of existing results, we believe the main contributions of this paper are (i) to unify parallel research lines by pointing out commonalities and differences, (ii) to introduce advanced material (e.g., sum-of-squares proofs) in an accessible and self-contained presentation for the practitioner, and (iii) to point out a few immediate opportunities and open questions in outlier-robust geometric perception.  ( 3 min )

I am looking to work with 5 or so people who would be interested in working on a collaborative project that will result in an app that can be used on our mobile devices that provides a signal service based off of an Ai based analysis of key market analysis points as well as a few other factors that I have managed to pick up over the years that if implemented correctly can ensure a very lucrative end product for us to use and share with family or friends. I have been working towards picking up python 3 as of late myself but still have plenty to learn and am hoping to bring people with some legitimate knowledge on board to roll out a working model within a reasonable time frame and to avoid any potential personal bias pitfalls that may end up in it if I were to just build this as a personal project alone. Participation on this project may also lead to a head position at the pre seed startup company that I founded that is focused on designing and producing advanced technologies of various natures. If that interests you we can definitely talk on it. This project is intended to be a side project and therefore not have any particular time frame requirements, nor is it a paid position beyond the resulting program that we build and your subsiquent freedom to use it as you please. submitted by /u/throwawayc117 [link] [comments]  ( 113 min )

A year ago we presented a new position embedding method. It's now used in BigScience's BLOOM model and in a few other models. I just uploaded a video lecture where I explain this ALiBi method and also talk about lots of other topics related to training large language models https://www.youtube.com/watch?v=Pp61ShI9VGc I discuss why transformers overfit to the commonly used absolute (learned/sinusoidal) position embeddings and I discuss paths for future work in long-sequence modeling. Feel free to ask any questions here :) submitted by /u/ofirpress [link] [comments]  ( 107 min )

Ara ara I'm working on a ML model for detecting and analysing morphological data of polymer blends, via ATR-IR Hyperspectral images. I need a dataset...database of these labled Hyperspectral images for training a ML model... submitted by /u/sauronium [link] [comments]  ( 111 min )

This post will present a specific example of two different papers from the same research group that shows the same approach with difference performance. My intent with this post is to know whether I am missing something/don't understand the results they are presenting, or validate that for some unknown reason the same method seems to have (significantly) different performance in different papers. The first paper in question is: MAML, the original formulation by Chelsea Finn, Sergey Levine et al. Figure 5 shows a plot of their results. I will focus on the HalfCheetah Rand Vel task, whose results are illustrated on the left. It can be seen that with one gradient step the loss is about -80, with two about -70, and with three about -65. ​ MAML Result (Green is MAML) Now, the second paper is PEARL (Efficient Off-Policy Meta-RL via probabilistic context variables) by Kate Rakelly as first author, but also Chelsea Finn and Sergey Levine. In figure 9 they presumably consider the same problem. ​ PEARL (Pearl method is blue; MAML is orange) It can be seen MAML peformance in the PEARL paper is under -100, which disagrees with what presented in the original paper. One plausible explanation I see is that Fig 9 of PEARL is with 0 gradient steps (Preupdate), but in that case it would not be a first comparison. Another explanation is that they define the task slightly different, .e.g., for the original MAML the target velocity lies between 0.0 and 2.0, but if you define it between 0.0 and 3.0, you will certainly get different performance, but again, why would they do that? I find it a little strange because it is the same research group/same authors partly. Does anyone know another explanation why the MAML results would be such in the PEARL paper? submitted by /u/carlml [link] [comments]  ( 90 min )

I want to create a python application that generates possible university course schedules given the names of a few courses. The student would determine the courses they would like to take (e.g. CS50, LITU101, PHY102, etc..) and the program would look at all possible sections for each course and generate a table with all the wanted courses in it. The goal: • Find possible schedules given course without time-conflicts. • If multiple schedules are possible, determine the best one by determining least breaks in between courses (i.e a compact schedule where classes are right after each other) and by other metrics a user chooses like preferring early morning schedules over late noon ones etc. I know this is a constraint satisfaction problem but I dont want to brute force it and I also want to use the heuristic i mentioned above. Any help, pointers, or anything that can help me with this? Thanks! submitted by /u/NaifAlqahtani [link] [comments]  ( 109 min )

Hi all ! , Im kindda new to the field of Ai and Image processing. I have a question, what van be the best ensemble learning method for multiclass classification, i thought of majority voting but it can be ineffective due to the number of classes at hand (if we want to create a model and classify set of images into 9 or 10 classes ) submitted by /u/Fox_Rey [link] [comments]  ( 88 min )

Requirement for: Data scientist / bioinformatics / computational chemistry / machine and deep learning Current utility: datasets from clinical trials, gene expression datasets for 20000 genes, structural biology: crystallography data/pdb/pubchem data/drug bank data/chemoinformatics data(rdkit). Standard libraries used so far: numpy sklearn pandas seabon matplotlib statsmodels scipy tensorflow and then some. Interested in: cuda development, using clara discovery (a drug discovery platform by nvidia), 3D molecular modeling and simulations, generative models (GAN) on 3d molecular descriptors and crystallographic data to simulate molecular configurations/poses/protein atructir prediction I see many people claiming that the new MacBook can do such things but then I also hear how people say that making python work on macbook is cumbersome as is. But at the same time I am not interested in carrying a super heavy hard to carry device that's gonna cook at high heat anytime I use it. Price being no issue can you provide macbook vs nvidia or any laptops which will do well with loading massive datasets, execute code with low latency for python libraries I mentioned, perform machine learning well, have an ability to handle docking/3d simulations etc, have a decent battery life, not have a cheap fragile body, won't get too hot or be too heavy to carry. Also, to leverage gpu computing, any egpu setups you might recommend that I can plug and play with said laptop Thank you submitted by /u/macORnvidia [link] [comments]  ( 92 min )

For a VAE, the total loss computation (usually) is: total_loss = (alpha * recon_loss) + (beta * kl_loss) Here alpha and beta are hyper-parameters for recon_loss (reconstruction loss) and kl_loss (KL-divergence loss). One common way to make the VAE's synthesis/generation better approximate/produce the original data is by increasing alpha hyper-parameter. However, as you keep increasing alpha, you are deviating away from a multivariate, standard Gaussian distribution. After a VAE has been trained, you generate new samples by sampling z from a standard Gaussian distribution as- z = tf.random.normal( shape = (batch_size, latent_space_dim), mean = 0.0, stddev = 1.0, dtype = tf.float32 ) This z is then fed through the VAE's decoder to get the generated samples. But, since the encoded latent space distribution has diverged from a standard Gaussian distribution, sampling z as above would lead to worse synthesis. How can you avoid this? Or, put differently, what's the appropriate way to sample from your latent space distribution for a high value of alpha? submitted by /u/grid_world [link] [comments]  ( 89 min )

https://preview.redd.it/sta831kbhhj91.jpg?width=985&format=pjpg&auto=webp&s=e724233456c816544bc4eaac919ff8b084f7a7fe ​ • Real-world dataset often contains extreme events and anomalies that tend to be rare and random • Why not learn and retain information from rare extreme events of the past? • Developing models for these critical moments of extreme events will remain a puzzle • Unless the long-term effects of anomalies are well captured and utilized Paper 📜: https://arxiv.org/abs/2208.09933 submitted by /u/afarhangi [link] [comments]  ( 89 min )

OpenAI's CLIP has a loss function that requires around 32K samples to calculate. Normally, we can deal with large loss functions by using micro-batches. However, we can't do that here because the loss function requires all samples, so micro-batching isn't really an option. Has anyone here implemented a CLIP / SimCLR sized model? submitted by /u/vanilla-acc [link] [comments]  ( 89 min )

As most of you know, weights for Stable Diffusion were released yesterday. I've been spending the last day or so playing around with it and it's amazing - I put a few examples below! I also put together this guide on How to Run Stable Diffusion - it goes through setup both for local machines and Colab notebooks. Setup only takes a few minutes! ​ "A Spartan warrior in the style of Salvador Dali" https://preview.redd.it/0nvzi9fj9hj91.png?width=512&format=png&auto=webp&s=a2ba8aec7745af9ba9ae747b124a3d9f4925a93d "a vaporwave image of a black hole" https://preview.redd.it/ehmyln1k9hj91.png?width=512&format=png&auto=webp&s=9a07769a150da598e4c626b7cb2b1494ffc11971 "a photorealistic image of Iron Man making breakfast" https://preview.redd.it/v8nkwc5m9hj91.png?width=512&format=png&auto=webp&s=758a9d34c4cd068d6cc85fb5b6d53600d8866bdc submitted by /u/SleekEagle [link] [comments]  ( 110 min )

I add a new module to my neural network and it reduces accuracy by about 2-3%. I could figure out why through by retraining with/without certain modules, but that would take a long time. Is there a simpler method (gradient analysis somehow?) that would apply to a broad set of neural network engineering to figure out what's going on or do I have to design a custom framework for hypothesis falsification for each net (e.g. understanding how specific modules interact with each other and checking for problem/network specific markers)? submitted by /u/danscarafoni [link] [comments]  ( 89 min )

Hi, I am trying to build a model where I can tag a speech based on certain intents/selections. For eg, consider the following sentence Hi, I am throwing a party, can you suggest some songs I want it to return party songs Similarly for the following statement Hi, Can you get me a cup of coffee with anything but biscuits to return coffee, not biscuits I was thinking of implementing NER but unsure if that will help detect negative statements (not something) Any guidance will be helpful submitted by /u/1NobodyPeople [link] [comments]  ( 88 min )

I have ADHD and Anxiety disorder. I take prescribed meds everyday. I never mention about my disorder in my applications or the interviews because I feel I am playing the 'pity card'. I am a fresh grad (Masters) and I have been constantly getting rejection emails from FAANG to startups for the past 3-4 months. I only got 3 interviews out of the uncountable applications I have submitted with cover letters and curated resumes/CVs. Out of the three interviews, I got straight up rejections after the first interview from the recruiter where they told me I am not the kind of person they are looking for and that my interest does not align with the company. The third interview I got rejected from was at the second stage. From my analysis of that interview I did a 6/10. I was honest and told them …  ( 101 min )

Building a regression model to predict housing prices in my area submitted by /u/OkBuddyArian [link] [comments]  ( 91 min )

In denoising diffusion models, we generally predict eps (noise) and use MSE as loss function. Instead of the eps we can also predict x_0. The same MSE will be applicable here. I am wondering if I can add an auxiliary loss along with the MSE loss. The auxiliary loss will enforce some additional supervision on x_0 (or x_t-1) in the framework. Would that be mathematically incorrect? submitted by /u/ankanbhunia [link] [comments]  ( 89 min )

Silly question of the day: I’ve been working with GANs for the past 4-5 months both for my bachelor thesis and my new job. From most of the papers I’ve seen, it looks like tanh at the output layer is always almost a given, but I still need to find an argument/paper explaining why that is a good choice. I would assume it’s because it has average around 0, so that should help the network converge faster, hence help with training stabilisation. However if you have any more detailed insight it would be much appreciated. Thanks! submitted by /u/ats678 [link] [comments]  ( 97 min )

The following article zooms in on the main Azure chatbot services and how they interact together. https://exadel.com/news/a-comprehensive-overview-of-azure-chatbot-services submitted by /u/lklimusheuskaja [link] [comments]  ( 88 min )

Hi folks, This video is a gentle intro to RETRO and retrieval-enhanced language models. It provides a high-level overview of DeepMind's RETRO paper from 2021. https://www.youtube.com/watch?v=sMPq4cVS4kg ​ More details are in the post: https://jalammar.github.io/illustrated-retrieval-transformer/ And the paper: https://www.deepmind.com/publications/improving-language-models-by-retrieving-from-trillions-of-tokens submitted by /u/jayalammar [link] [comments]  ( 107 min )

Recently, I've been researching extracting tables from image documents. First I tried with pdfs, however, the data extraction libraries like camelot are inconsistent. I found a deep learning model called CascadeTabNet. The detection results are okay but cell recognition is poor. I even found Multi-Type-TD-TSR for table extraction. It uses image processing techniques to find the grids. It performs well on structured and bordered tables. However, it messes up if the cell is not properly aligned. Even if extraction is successful, aggregation of multi-line cells, i.e post-processing, is not very obvious. However, I found this site ExtractTable. The results are super accurate. The site says it uses AI. However, I couldn't find out what kind of deep learning model it uses. submitted by /u/Melodic_Stomach_2704 [link] [comments]  ( 89 min )

I have very little understanding when it comes to ML but I am willing to learn, I have had some practice building models with Computer Vision OpenCV but that's it. What I asking for is some guidance on where to start with this because I'm pretty sure a CV is not the right tool. Note that I'm not asking for help on how to build a model, I would like to know where to start, I remember reading a paper about this exact topic a long time ago but I cannot find it now. What are we trying to do: We have a list of ~10k multi-choice questions, students have full access to these questions and on the final exam a group of questions will be selected and the user must get X right in order to pass. I want a model that is capable of learning from student answers by detecting in which category the student has more difficulties, working to improve the student's knowledge With this data, we hope to provide the student with an insight into how well he/she is prepared to take the final exam. We save a very detailed report of every single exam simulation made by a unique student, each student has its own average data, and there is also a global table of all student's exam reports with averages with non-identifiable data. It would be great if the model is capable of detecting if the user answered incorrectly due to a trap or due to a lack of knowledge, for instance, if the student's answer is very similar to the right answer, and the time taken to answer is below average, it may show a lack of attention and not a lack of knowledge. I would truly appreciate any guidance! submitted by /u/4fucksakem8 [link] [comments]  ( 113 min )

Good evening, I have a concern, I am working on an image classification model that focuses on detecting if the handles of a plastic box are well placed or not. I have been making changes in the training network, adding images in the dataset, trying different configurations in the data augmentation and I have not been able to get it to work correctly. All the training images I have put a size of 90 x 90 pixels, I do not know if the image is too small or directly what my mistake is, so I would like to know if you could give me tips to train more accurately the model I'm doing. Thank you very much and I will be attentive to any comment. submitted by /u/liebheartx [link] [comments]  ( 91 min )

I first added "It was a stormy night and a woman" and then I just kept generating and It turned in to something about god. It was a stormy night and a woman was standing on the pier. She saw a boat approach and begin to list. The water began to rush in, and the boat began to sink. It sank quickly, and the waves and wind began to push and pull the woman, and pull her into the dark sea. She was scared and scared and scared. She began to call out to God. "Why?" she cried. "Why, why me?" "Save me," she cried again. There was silence. No answer. All around her there was darkness, and the rain was falling down so hard. And then, suddenly, a great splash. Suddenly a great big splash. She turned around and saw a bright light approaching. She reached her arms out to it, and it cam…  ( 89 min )

submitted by /u/LordPewPew777 [link] [comments]  ( 87 min )

submitted by /u/much_successes [link] [comments]  ( 87 min )

submitted by /u/LordPewPew777 [link] [comments]  ( 87 min )

Upscaled in Photoshop Beta submitted by /u/ZoNeS_v2 [link] [comments]  ( 87 min )

submitted by /u/akolonin [link] [comments]  ( 87 min )

submitted by /u/belindahooper [link] [comments]  ( 92 min )

submitted by /u/Zirius_Sadfaces [link] [comments]  ( 89 min )

submitted by /u/Viacheslav_Varenia [link] [comments]  ( 86 min )

Check out this article on How to Run Stable Diffusion to get started either on a local machine (if you have a GPU) or in Colab if you don't! It's super easy to follow and you can get started making images like the ones below in just a few minutes! "a vaporwave image of a black hole" https://preview.redd.it/jtul1an99hj91.png?width=512&format=png&auto=webp&s=d04735ad92e06d4fabb3e3ed31c4628ab0a76be0 ​ "a photorealistic image of Iron Man making breakfast" ​ https://preview.redd.it/g8bc0p2a9hj91.png?width=512&format=png&auto=webp&s=f31189d2fad41653eed7b683afa60ca85e4d5fdc "A solarpunk painting of an alien civilization" ​ https://preview.redd.it/11entnba9hj91.png?width=512&format=png&auto=webp&s=4d3d28dfd18696de5514a121f3e0850008732dbe submitted by /u/SleekEagle [link] [comments]  ( 87 min )

submitted by /u/nalr00n [link] [comments]  ( 87 min )

After getting the chance to play with these things myself, I've found that if I'm using a good model that understands English very well, I can express what I imagine down to the smallest detail and sometimes it will completely capture the image if I'm lucky. As these language models get better and the diffusion models get bigger or more accurate, I can see that it will take more literary skill to generate specific art, while completely taking away the skills necessary to "generate" art in a medium. I'm not saying it will take away creativity, I'm saying it will change the way we need to be creative. I've seen some people argue that this will "take our jobs" when it comes to art generation. I agree that on some level, yes in effect, it will prune the artist industry quite a bit, but it can't be more of an industry disruptor than Adobe Photoshop was. If anything, like with the digital camera revolution, it will take away some specific jobs and create some very specific new jobs as well. In the long run, society will be left in tact, but with some new ways to express itself. Some of these skill sets will go the way of the dinosaur and others will flourish. The real question that this puts in people's face I think is, how do we redefine our identities now that things have changed? submitted by /u/enspiralart [link] [comments]  ( 89 min )

submitted by /u/Ok-Craft-9908 [link] [comments]  ( 88 min )

Hey everyone! The Learn AI Together community is getting bigger and bigger with more and more people learning AI, we would love to find more enthusiastic professionals (junior,mid-level, senior..), and grad students, TAs or professors willing to help and exchange with people learning AI by answering questions from time to time. We are an AI-enthusiasts community of over 28'000 people now where members can chat, ask questions, share resources and projects, find people to work with, find job offers, etc. We are now focusing on getting experts or advanced members to join us and help us help others. More info about the community and how to join us (free): Learn AI Together Excited to chat with you there! submitted by /u/OnlyProggingForFun [link] [comments]  ( 88 min )

submitted by /u/prfitofthesngularity [link] [comments]  ( 87 min )

Azure provides a variety of powerful chatbot-related services: creating rule-based chatbots, understanding user intents, creating simple FAQ chatbots, and orchestrating all those services. It’s not easy to understand how to integrate different services, though. Complicating matters further are Microsoft’s new services, which don’t have all the functionality and integration capabilities of their old services. In this article, we will review all Azure chatbot services and figure out how they can work together. https://exadel.com/news/a-comprehensive-overview-of-azure-chatbot-services submitted by /u/lklimusheuskaja [link] [comments]  ( 107 min )

submitted by /u/Tao_Dragon [link] [comments]  ( 87 min )

submitted by /u/pmz [link] [comments]  ( 90 min )

submitted by /u/professoreyl [link] [comments]  ( 87 min )

I've been working with off-policy REINFORCE recently, and the question came up of computing the importance sampling weights. The intuitive solution for me was this: - for a return G_t collected under the behavior policy b, compute the importance sampling ratio using the learned policy \pi and the behavior policy b - Adjust R in the same way as it is done for value function approximation in chapter 5.5 of Sutton and Barto: http://incompleteideas.net/book/RLbook2020.pdf This view seems to be supported by a paper on which Sutton is an author in section 2.3: https://arxiv.org/abs/1205.4839 Here, they use per-step importance sampling, and replace Q_{pi}(s, a) with the importance sampled return (collected using b). Importantly, the compute the importance weights where k=t...T-1. This is intuitive to me, the future return only depends on future states and actions. *** On the other hand, there is Sergey Levine's lecture at Berkeley which directly contradicts this: http://rail.eecs.berkeley.edu/deeprlcourse-fa17/f17docs/lecture_4_policy_gradient.pdf On slide 25, he derives an off-policy PG rule, but only compute the importance sampling ratio using past actions. Being a slideshow, the explanation is very hand-wavy: - "what about causality?"- "future actions don't affect current weight." To me, this is not intuitive, because it seems that future actions matter a lot for determining future rewards. Either way, these very reputable researchers seem to be directly contradicting each other? Who is right? submitted by /u/green-top [link] [comments]  ( 92 min )

Illegal moves in other words 'grayed out', against the logic/hard-rules of the game. submitted by /u/Ninjaxas [link] [comments]  ( 104 min )

Lets say a game on average terminates in about 4000 steps, when the done condition is fulfiled. If I want to train a PPO on that game, does the n_steps need to be at least 4000 so that it learns when the game is completed successfully or it doesnt matter? I was wondering once the max PPO steps is reached in the for loop, does the environment get reset or does it continue from the previous max PPo steps? Thank you! submitted by /u/Playful_Shop_8165 [link] [comments]  ( 101 min )

submitted by /u/Lakshmireddys [link] [comments]  ( 87 min )

Greetings! Is there a way to enhance the PPO (Proximal Policy Optimization) algorithm with e-greedy exploration, I will still have the default Normal Distribution with decaying std, yet with a High-decaying chance ε, I will sample randomly (uniformly) from my action-space with chance of ε and sample according to Normal dist with a chance of 1-ε. Does it make any sense? How will I handle the logprobs, is it possible? What you guys think? submitted by /u/White_Sirilo [link] [comments]  ( 88 min )

Hello :D, In on-policy algorithms (such as PPO), the agent needs to act based on the latest version of the actor network. I basically tried to feed the agent with external expert demonstrations that lead to good rewards, but the learning was so bad. Mathematically (in PPO for example), why would this not work? ​ Thank you :D submitted by /u/AhmedNizam_ [link] [comments]  ( 103 min )

submitted by /u/elonmusk12345_ [link] [comments]  ( 87 min )

A graph with five billion people (nearly everyone on the Internet) brings up both ethical questions and opportunities. The post DSC Weekly 23 August 2022: Five Billion Person Graph – Grand Achievement or Wakeup Call? appeared first on Data Science Central.  ( 21 min )

Moving Picture, Audio, and Data Coding by Artificial Intelligence (MPAI), an international unaffiliated not-for-profit organization, develops AI-based Data Coding standards with associated clear licensing frameworks. The post The MPAI-AIF V2 Call for Technologies appeared first on Data Science Central.  ( 19 min )

Now with Amazon Forecast, you can seamlessly conduct what-if analyses up to 80% faster to analyze and quantify the potential impact of business levers on your demand forecasts. Forecast is a service that uses machine learning (ML) to generate accurate demand forecasts, without requiring any ML experience. Simulating scenarios through what-if analyses is a powerful […]  ( 9 min )

Posted by Yilin Wang, Staff Software Engineer, YouTube and Feng Yang, Senior Staff Software Engineer, Google Research Online video sharing platforms, like YouTube, need to understand perceptual video quality (i.e., a user's subjective perception of video quality) in order to better optimize and improve user experience. Video quality assessment (VQA) attempts to build a bridge between video signals and perceptual quality by using objective mathematical models to approximate the subjective opinions of users. Traditional video quality metrics, like peak signal-to-noise ratio (PSNR) and Video Multi-Method Assessment Fusion (VMAF), are reference-based and focus on the relative difference between the target and reference videos. Such metrics, which work best on professionally generated content …  ( 27 min )

For a VAE, the total loss computation (usually) is: total_loss = (alpha * recon_loss) + (beta * kl_loss) Here alpha and beta are hyper-parameters for recon_loss (reconstruction loss) and kl_loss (KL-divergence loss). One common way to make the VAE's synthesis/generation better approximate/produce the original data is by increasing alpha hyper-parameter. However, as you keep increasing alpha, you are deviating away from a multivariate, standard Gaussian distribution. After a VAE has been trained, you generate new samples by sampling z from a standard Gaussian distribution as- z = tf.random.normal( shape = (batch_size, latent_space_dim), mean = 0.0, stddev = 1.0, dtype = tf.float32 ) This z is then fed through the VAE's decoder to get the generated samples. But, since the encoded latent space distribution has diverged from a standard Gaussian distribution, sampling z as above would lead to worse synthesis. How can you avoid this? Or, put differently, what's the appropriate way to sample from your latent space distribution for a high value of alpha? submitted by /u/grid_world [link] [comments]  ( 88 min )

AI Centers of Excellence are organizational units dedicated to implementing a company-wide AI vision. They help identify business use cases, create an implementation roadmap, accelerate adoption, assess impact and more. NVIDIA GTC, a global conference on AI and the metaverse, brings together the world’s top business and technology leaders who’ve embraced artificial intelligence to transform Read article > The post Learn How Leading Companies Are Building AI Centers of Excellence, at NVIDIA GTC appeared first on NVIDIA Blog.  ( 5 min )

Floods in Kentucky and wildfires in California are the kinds of disasters companies of all sorts are trying to address with AI. Tom Rikert, co-founder and CEO of San Francisco-based startup Masterful AI, is one of many experts helping them manage catastrophe risk. In the U.S. alone, the National Association of Insurance Commissioners estimates that Read article > The post Shelter From the Storm: AI Helps Gauge Catastrophe Risks appeared first on NVIDIA Blog.  ( 6 min )

Recent AI advances enable modeling of weather forecasting 4-5 magnitudes faster than traditional computing methods. The brightest leaders, researchers and developers in climate science, high performance computing and AI will discuss such technology breakthroughs — and how they can help foster a greener Earth — at NVIDIA GTC. The virtual conference, running Sept. 19-22, also Read article > The post Predict, Detect, Mitigate: AI for Climate Science Takes the Stage at NVIDIA GTC appeared first on NVIDIA Blog.  ( 5 min )

A triple threat steps In the NVIDIA Studio this week: a tantalizing trio of talented 3D artists who each reimagined and remastered classic European buildings with individualistic flair. The post 3D Artists Reimagine, Remaster Iconic European Architecture This Week ‘In the NVIDIA Studio’ appeared first on NVIDIA Blog.  ( 9 min )

Suppose you drive a distance a, turn right, then drive a distance b. How far are you from where you started? If a and b are relatively small, then the answer is given by the Pythagorean theorem. Small here means small relative to the radius of the Earth. Any distance you drive is small enough: […] Pythagoras on a sphere first appeared on John D. Cook.  ( 6 min )

I was playing around with DALL-E last night. I pasted the definition of chimera into DALL-E and the results were bizarre. See this Twitter thread for images. I also played around with some more mnemonic images. Students often memorize the sines and cosines of 30°, 45°, and 60°. I thought about making a mnemonic image […] Chimera and sine of 60° first appeared on John D. Cook.  ( 5 min )

Find impressive examples of ML that we use every day.  ( 21 min )

This work theoretically studies a ubiquitous reinforcement learning policy for controlling the canonical model of continuous-time stochastic linear-quadratic systems. We show that randomized certainty equivalent policy addresses the exploration-exploitation dilemma in linear control systems that evolve according to unknown stochastic differential equations and their operating cost is quadratic. More precisely, we establish square-root of time regret bounds, indicating that randomized certainty equivalent policy learns optimal control actions fast from a single state trajectory. Further, linear scaling of the regret with the number of parameters is shown. The presented analysis introduces novel and useful technical approaches, and sheds light on fundamental challenges of continuous-time reinforcement learning.

Data-driven design shows the promise of accelerating materials discovery but is challenging due to the prohibitive cost of searching the vast design space of chemistry, structure, and synthesis methods. Bayesian Optimization (BO) employs uncertainty-aware machine learning models to select promising designs to evaluate, hence reducing the cost. However, BO with mixed numerical and categorical variables, which is of particular interest in materials design, has not been well studied. In this work, we survey frequentist and Bayesian approaches to uncertainty quantification of machine learning with mixed variables. We then conduct a systematic comparative study of their performances in BO using a popular representative model from each group, the random forest-based Lolo model (frequentist) and the latent variable Gaussian process model (Bayesian). We examine the efficacy of the two models in the optimization of mathematical functions, as well as properties of structural and functional materials, where we observe performance differences as related to problem dimensionality and complexity. By investigating the machine learning models' predictive and uncertainty estimation capabilities, we provide interpretations of the observed performance differences. Our results provide practical guidance on choosing between frequentist and Bayesian uncertainty-aware machine learning models for mixed-variable BO in materials design.

Automatic Identification System (AIS) messages are useful for tracking vessel activity across oceans worldwide using radio links and satellite transceivers. Such data plays a significant role in tracking vessel activity and mapping mobility patterns such as those found in fishing. Accordingly, this paper proposes a geometric-driven semi-supervised approach for fishing activity detection from AIS data. Through the proposed methodology we show how to explore the information included in the messages to extract features describing the geometry of the vessel route. To this end, we leverage the unsupervised nature of cluster analysis to label the trajectory geometry highlighting the changes in the vessel's moving pattern which tends to indicate fishing activity. The labels obtained by the proposed unsupervised approach are used to detect fishing activities, which we approach as a time-series classification task. In this context, we propose a solution using recurrent neural networks on AIS data streams with roughly 87% of the overall $F$-score on the whole trajectories of 50 different unseen fishing vessels. Such results are accompanied by a broad benchmark study assessing the performance of different Recurrent Neural Network (RNN) architectures. In conclusion, this work contributes by proposing a thorough process that includes data preparation, labeling, data modeling, and model validation. Therefore, we present a novel solution for mobility pattern detection that relies upon unfolding the trajectory in time and observing their inherent geometry.

Variational auto-encoder (VAE) is an effective neural network architecture to disentangle a speech utterance into speaker identity and linguistic content latent embeddings, then generate an utterance for a target speaker from that of a source speaker. This is possible by concatenating the identity embedding of the target speaker and the content embedding of the source speaker uttering a desired sentence. In this work, we propose to improve VAE models with self-attention and structural regularization (RGSM). Specifically, we found a suitable location of VAE's decoder to add a self-attention layer for incorporating non-local information in generating a converted utterance and hiding the source speaker's identity. We applied relaxed group-wise splitting method (RGSM) to regularize network weights and remarkably enhance generalization performance. In experiments of zero-shot many-to-many voice conversion task on VCTK data set, with the self-attention layer and relaxed group-wise splitting method, our model achieves a gain of speaker classification accuracy on unseen speakers by 28.3\% while slightly improved conversion voice quality in terms of MOSNet scores. Our encouraging findings point to future research on integrating more variety of attention structures in VAE framework while controlling model size and overfitting for advancing zero-shot many-to-many voice conversions.  ( 3 min )

The problem of online learning with graph feedback has been extensively studied in the literature due to its generality and potential to model various learning tasks. Existing works mainly study the adversarial and stochastic feedback separately. If the prior knowledge of the feedback mechanism is unavailable or wrong, such specially designed algorithms could suffer great loss. To avoid this problem, \citet{erez2021towards} try to optimize for both environments. However, they assume the feedback graphs are undirected and each vertex has a self-loop, which compromises the generality of the framework and may not be satisfied in applications. With a general feedback graph, the observation of an arm may not be available when this arm is pulled, which makes the exploration more expensive and the algorithms more challenging to perform optimally in both environments. In this work, we overcome this difficulty by a new trade-off mechanism with a carefully-designed proportion for exploration and exploitation. We prove the proposed algorithm simultaneously achieves $\mathrm{poly} \log T$ regret in the stochastic setting and minimax-optimal regret of $\tilde{O}(T^{2/3})$ in the adversarial setting where $T$ is the horizon and $\tilde{O}$ hides parameters independent of $T$ as well as logarithmic terms. To our knowledge, this is the first best-of-both-worlds result for general feedback graphs.

Learning neural networks using only a small amount of data is an important ongoing research topic with tremendous potential for applications. In this paper, we introduce a regularizer for the variational modeling of inverse problems in imaging based on normalizing flows. Our regularizer, called patchNR, involves a normalizing flow learned on patches of very few images. In particular, the training is independent from the considered inverse problem such that the same regularizer can be used for different forward operators acting on the same class of images. By investigating the distribution of patches versus those of the whole image class, we prove that our variational model is indeed a MAP approach. Our model can be generalized to conditional patchNRs, if additional supervised information is available. Numerical examples for superresolution of material images and low-dose or limited-angle computed tomography (CT) demonstrate that our method provides high quality results among methods with similar assumptions, but requires only few data.  ( 2 min )

The Solar Dynamics Observatory (SDO), a NASA multi-spectral decade-long mission that has been daily producing terabytes of observational data from the Sun, has been recently used as a use-case to demonstrate the potential of machine learning methodologies and to pave the way for future deep-space mission planning. In particular, the idea of using image-to-image translation to virtually produce extreme ultra-violet channels has been proposed in several recent studies, as a way to both enhance missions with less available channels and to alleviate the challenges due to the low downlink rate in deep space. This paper investigates the potential and the limitations of such a deep learning approach by focusing on the permutation of four channels and an encoder--decoder based architecture, with particular attention to how morphological traits and brightness of the solar surface affect the neural network predictions. In this work we want to answer the question: can synthetic images of the solar corona produced via image-to-image translation be used for scientific studies of the Sun? The analysis highlights that the neural network produces high-quality images over three orders of magnitude in count rate (pixel intensity) and can generally reproduce the covariance across channels within a 1% error. However the model performance drastically diminishes in correspondence of extremely high energetic events like flares, and we argue that the reason is related to the rareness of such events posing a challenge to model training.  ( 3 min )

Self-supervised learning (SSL) has become a popular method for generating invariant representations without the need for human annotations. Nonetheless, the desired invariant representation is achieved by utilising prior online transformation functions on the input data. As a result, each SSL framework is customised for a particular data type, e.g., visual data, and further modifications are required if it is used for other dataset types. On the other hand, autoencoder (AE), which is a generic and widely applicable framework, mainly focuses on dimension reduction and is not suited for learning invariant representation. This paper proposes a generic SSL framework based on a constrained self-labelling assignment process that prevents degenerate solutions. Specifically, the prior transformation functions are replaced with a self-transformation mechanism, derived through an unsupervised training process of adversarial training, for imposing invariant representations. Via the self-transformation mechanism, pairs of augmented instances can be generated from the same input data. Finally, a training objective based on contrastive learning is designed by leveraging both the self-labelling assignment and the self-transformation mechanism. Despite the fact that the self-transformation process is very generic, the proposed training strategy outperforms a majority of state-of-the-art representation learning methods based on AE structures. To validate the performance of our method, we conduct experiments on four types of data, namely visual, audio, text, and mass spectrometry data, and compare them in terms of four quantitative metrics. Our comparison results indicate that the proposed method demonstrate robustness and successfully identify patterns within the datasets.  ( 3 min )

Nowadays, many classification algorithms have been applied to various industries to help them work out their problems met in real-life scenarios. However, in many binary classification tasks, samples in the minority class only make up a small part of all instances, which leads to the datasets we get usually suffer from high imbalance ratio. Existing models sometimes treat minority classes as noise or ignore them as outliers encountering data skewing. In order to solve this problem, we propose a bagging ensemble learning framework $ASE$ (Anomaly Scoring Based Ensemble Learning). This framework has a scoring system based on anomaly detection algorithms which can guide the resampling strategy by divided samples in the majority class into subspaces. Then specific number of instances will be under-sampled from each subspace to construct subsets by combining with the minority class. And we calculate the weights of base classifiers trained by the subsets according to the classification result of the anomaly detection model and the statistics of the subspaces. Experiments have been conducted which show that our ensemble learning model can dramatically improve the performance of base classifiers and is more efficient than other existing methods under a wide range of imbalance ratio, data scale and data dimension. $ASE$ can be combined with various classifiers and every part of our framework has been proved to be reasonable and necessary.  ( 3 min )

Anti-cancer drug discoveries have been serendipitous, we sought to present the Open Molecular Graph Learning Benchmark, named CandidateDrug4Cancer, a challenging and realistic benchmark dataset to facilitate scalable, robust, and reproducible graph machine learning research for anti-cancer drug discovery. CandidateDrug4Cancer dataset encompasses multiple most-mentioned 29 targets for cancer, covering 54869 cancer-related drug molecules which are ranged from pre-clinical, clinical and FDA-approved. Besides building the datasets, we also perform benchmark experiments with effective Drug Target Interaction (DTI) prediction baselines using descriptors and expressive graph neural networks. Experimental results suggest that CandidateDrug4Cancer presents significant challenges for learning molecular graphs and targets in practical application, indicating opportunities for future researches on developing candidate drugs for treating cancers.  ( 2 min )

Quantum technologies require methods for preparing and manipulating entangled multiparticle states. However, the problem of determining whether a given quantum state is entangled or separable is known to be an NP-hard problem in general, and even the task of detecting entanglement breakdown for a given class of quantum states is difficult. In this work, we develop an approach for revealing entanglement breakdown using a machine learning technique, which is known as 'learning by confusion'. We consider a family of quantum states, which is parameterized such that there is a single critical value dividing states within this family into separate and entangled. We demonstrate the 'learning by confusion' scheme allows us to determine the critical value. Specifically, we study the performance of the method for the two-qubit, two-qutrit, and two-ququart entangled state. In addition, we investigate the properties of the local depolarization and the generalized amplitude damping channel in the framework of the confusion scheme. Within our approach and setting the parameterization of special trajectories, we obtain an entanglement-breakdown 'phase diagram' of a quantum channel, which indicates regions of entangled (separable) states and the entanglement-breakdown region. Then we extend the way of using the 'learning by confusion' scheme for recognizing whether an arbitrary given state is entangled or separable. We show that the developed method provides correct answers for a variety of states, including entangled states with positive partial transpose. We also present a more practical version of the method, which is suitable for studying entanglement breakdown in noisy intermediate-scale quantum devices. We demonstrate its performance using an available cloud-based IBM quantum processor.  ( 3 min )

Recent studies revealed that convolutional neural networks do not generalize well to small image transformations, e.g. rotations by a few degrees or translations of a few pixels. To improve the robustness to such transformations, we propose to introduce data augmentation at intermediate layers of the neural architecture, in addition to the common data augmentation applied on the input images. By introducing small perturbations to activation maps (features) at various levels, we develop the capacity of the neural network to cope with such transformations. We conduct experiments on three image classification benchmarks (Tiny ImageNet, Caltech-256 and Food-101), considering two different convolutional architectures (ResNet-18 and DenseNet-121). When compared with two state-of-the-art stabilization methods, the empirical results show that our approach consistently attains the best trade-off between accuracy and mean flip rate.  ( 2 min )

The stock market offers a platform where people buy and sell shares of publicly listed companies. Generally, stock prices are quite volatile; hence predicting them is a daunting task. There is still much research going to develop more accuracy in stock price prediction. Portfolio construction refers to the allocation of different sector stocks optimally to achieve a maximum return by taking a minimum risk. A good portfolio can help investors earn maximum profit by taking a minimum risk. Beginning with Dow Jones Theory a lot of advancement has happened in the area of building efficient portfolios. In this project, we have tried to predict the future value of a few stocks from six important sectors of the Indian economy and also built a portfolio. As part of the project, our team has conducted a study of the performance of various Time series, machine learning, and deep learning models in stock price prediction on selected stocks from the chosen six important sectors of the economy. As part of building an efficient portfolio, we have studied multiple portfolio optimization theories beginning with the Modern Portfolio theory. We have built a minimum variance portfolio and optimal risk portfolio for all the six chosen sectors by using the daily stock prices over the past five years as training data and have also conducted back testing to check the performance of the portfolio. We look forward to continuing our study in the area of stock price prediction and asset allocation and consider this project as the first stepping stone.

Unsupervised real world super resolution (USR) aims to restore high-resolution (HR) images given low-resolution (LR) inputs, and its difficulty stems from the absence of paired dataset. One of the most common approaches is synthesizing noisy LR images using GANs (i.e., degradation generators) and utilizing a synthetic dataset to train the model in a supervised manner. Although the goal of training the degradation generator is to approximate the distribution of LR images given a HR image, previous works have heavily relied on the unrealistic assumption that the conditional distribution is a delta function and learned the deterministic mapping from the HR image to a LR image. In this paper, we show that we can improve the performance of USR models by relaxing the assumption and propose to train the probabilistic degradation generator. Our probabilistic degradation generator can be viewed as a deep hierarchical latent variable model and is more suitable for modeling the complex conditional distribution. We also reveal the notable connection with the noise injection of StyleGAN. Furthermore, we train multiple degradation generators to improve the mode coverage and apply collaborative learning for ease of training. We outperform several baselines on benchmark datasets in terms of PSNR and SSIM and demonstrate the robustness of our method on unseen data distribution. Code is available at https://github.com/sangyun884/MSSR.  ( 3 min )

It is well-known that modern neural networks are vulnerable to adversarial examples. To mitigate this problem, a series of robust learning algorithms have been proposed. However, although the robust training error can be near zero via some methods, all existing algorithms lead to a high robust generalization error. In this paper, we provide a theoretical understanding of this puzzling phenomenon from the perspective of expressive power for deep neural networks. Specifically, for binary classification problems with well-separated data, we show that, for ReLU networks, while mild over-parameterization is sufficient for high robust training accuracy, there exists a constant robust generalization gap unless the size of the neural network is exponential in the data dimension $d$. Even if the data is linear separable, which means achieving low clean generalization error is easy, we can still prove an $\exp({\Omega}(d))$ lower bound for robust generalization. In general, our exponential lower bounds hold true for a variety of neural network families and other function classes as well, as long as their VC dimension is at most polynomial in the number of parameters. Moreover, we establish an improved upper bound of $\exp({\mathcal{O}}(k))$ for the network size to achieve low robust generalization error when the data lies on a manifold with intrinsic dimension $k$ ($k \ll d$). Nonetheless, we also have a lower bound that grows exponentially with respect to $k$ -- the curse of dimensionality is inevitable. By demonstrating an exponential separation between the network size for achieving low robust training and generalization error, our results reveal that the hardness of robust generalization may stem from the expressive power of practical models.

Vehicle hijacking is one of the leading crimes in many cities. For instance, in South Africa, drivers must constantly remain vigilant on the road in order to ensure that they do not become hijacking victims. This work is aimed at developing a map depicting hijacking spots in a city by using Twitter data. Tweets, which include the keyword "hijacking", are obtained in a designated city of Cape Town, in this work. In order to extract relevant tweets, these tweets are analyzed by using the following machine learning techniques: 1) a Multi-layer Feed-forward Neural Network (MLFNN); 2) Convolutional Neural Network; and Bidirectional Encoder Representations from Transformers (BERT). Through training and testing, CNN achieved an accuracy of 99.66%, while MLFNN and BERT achieve accuracies of 98.99% and 73.99% respectively. In terms of Recall, Precision and F1-score, CNN also achieved the best results. Therefore, CNN was used for the identification of relevant tweets. The relevant reports that it generates are visually presented on a points map of the City of Cape Town. This work used a small dataset of 426 tweets. In future, the use of evolutionary computation will be explored for purposes of optimizing the deep learning models. A mobile application is under development to make this information usable by the general public.  ( 2 min )

Generation-based methods have captured most of the recent attention in Zero-Shot Learning research. In this paper, we attempt to deconstruct the generator-classifier framework to guide its improvement and extension. We begin by analyzing the generator-learned instance-level distribution by alternating it with a Gaussian distribution. Then we reveal the roles of the class-level distribution and the instance-level distribution learned by the generator in classifier training by decomposing the classifier gradients. We finally conclude with the guidelines for improving the generator-classifier framework from the deconstruction of the generator and the classifier, i.e., (i) The key for the ZSL generator is attribute generalization; and (ii) classifier learning emphasizes mitigating the impact of pseudo unseen samples on decision boundaries between seen classes during training, and reducing the seen-unseen bias. We propose a simple method based on the guidelines. Without complex designs, the proposed method outperforms the state of the art on four public ZSL datasets, which demonstrates the validity of the proposed guidelines. The proposed method is still effective when replacing the generative model with an attribute-to-visual center single mapping model, demonstrating its strong transferability. Codes will be public upon acceptance.  ( 2 min )

Averaging neural network weights sampled by a backbone stochastic gradient descent (SGD) is a simple yet effective approach to assist the backbone SGD in finding better optima, in terms of generalization. From a statistical perspective, weight averaging (WA) contributes to variance reduction. Recently, a well-established stochastic weight averaging (SWA) method is proposed, which is featured by the application of a cyclical or high constant (CHC) learning rate schedule (LRS) in the process of generating weight samples for the WA operation. Then a new insight on WA appears, which states that WA helps to discover wider optima and then leads to better generalization. We conduct extensive experimental studies for SWA, involving a dozen modern DNN model structures and a dozen benchmark open-source image, graph, and text datasets. We disentangle contributions of the WA operation and the CHC LRS for SWA, showing that the WA operation in SWA still contributes to variance reduction but does not always lead to wide optima. We show how the statistical and geometric views on SWA reconcile. Based on our experimental findings, we raise a hypothesis that there are global scale geometric structures in the DNN loss landscape that can be discovered by an SGD agent at the early stage of its working period, and such global geometric structures can be exploited by the WA operation. This hypothesis inspires an algorithm design termed periodic SWA (PSWA). We find that PSWA outperforms its backbone SGD remarkably during the early stage of the SGD sampling process, and thus demonstrate that our hypothesis holds. Codes for reproducing the experimental results can be found at https://github.com/ZJLAB-AMMI/PSWA.  ( 3 min )

Recent advances in artificial intelligence largely benefit from better neural network architectures. These architectures are a product of a costly process of trial-and-error. To ease this process, we develop ArchExplorer, a visual analysis method for understanding a neural architecture space and summarizing design principles. The key idea behind our method is to make the architecture space explainable by exploiting structural distances between architectures. We formulate the pairwise distance calculation as solving an all-pairs shortest path problem. To improve efficiency, we decompose this problem into a set of single-source shortest path problems. The time complexity is reduced from O(kn^2N) to O(knN). Architectures are hierarchically clustered according to the distances between them. A circle-packing-based architecture visualization has been developed to convey both the global relationships between clusters and local neighborhoods of the architectures in each cluster. Two case studies and a post-analysis are presented to demonstrate the effectiveness of ArchExplorer in summarizing design principles and selecting better-performing architectures.  ( 2 min )

Deep Learning systems have achieved great success in the past few years, even surpassing human intelligence in several cases. As of late, they have also established themselves in the biomedical and healthcare domains, where they have shown a lot of promise, but have not yet achieved widespread adoption. This is in part due to the fact that most methods fail to maintain their performance when they are called to make decisions on data that originate from a different distribution than the one they were trained on, namely Out-Of-Distribution (OOD) data. For example, in the case of biosignal classification, models often fail to generalize well on datasets from different hospitals, due to the distribution discrepancy amongst different sources of data. Our goal is to demonstrate the Domain Generalization problem present between distinct hospital databases and propose a method that classifies abnormalities on 12-lead Electrocardiograms (ECGs), by leveraging information extracted across the architecture of a Deep Neural Network, and capturing the underlying structure of the signal. To this end, we adopt a ResNet-18 as the backbone model and extract features from several intermediate convolutional layers of the network. To evaluate our method, we adopt publicly available ECG datasets from four sources and handle them as separate domains. To simulate the distributional shift present in real-world settings, we train our model on a subset of the domains and leave-out the remaining ones. We then evaluate our model both on the data present at training time (intra-distribution) and the held-out data (out-of-distribution), achieving promising results and surpassing the baseline of a vanilla Residual Network in most of the cases.  ( 3 min )

Autoencoders, which consist of an encoder and a decoder, are widely used in machine learning for dimension reduction of high-dimensional data. The encoder embeds the input data manifold into a lower-dimensional latent space, while the decoder represents the inverse map, providing a parametrization of the data manifold by the manifold in latent space. A good regularity and structure of the embedded manifold may substantially simplify further data processing tasks such as cluster analysis or data interpolation. We propose and analyze a novel regularization for learning the encoder component of an autoencoder: a loss functional that prefers isometric, extrinsically flat embeddings and allows to train the encoder on its own. To perform the training it is assumed that for pairs of nearby points on the input manifold their local Riemannian distance and their local Riemannian average can be evaluated. The loss functional is computed via Monte Carlo integration with different sampling strategies for pairs of points on the input manifold. Our main theorem identifies a geometric loss functional of the embedding map as the $\Gamma$-limit of the sampling-dependent loss functionals. Numerical tests, using image data that encodes different explicitly given data manifolds, show that smooth manifold embeddings into latent space are obtained. Due to the promotion of extrinsic flatness, these embeddings are regular enough such that interpolation between not too distant points on the manifold is well approximated by linear interpolation in latent space as one possible postprocessing.  ( 3 min )

Legal literature on machine learning (ML) tends to focus on harms, and thus tends to reason about individual model outcomes and summary error rates. This focus has masked important aspects of ML that are rooted in its reliance on randomness -- namely, stochasticity and non-determinism. While some recent work has begun to reason about the relationship between stochasticity and arbitrariness in legal contexts, the role of non-determinism more broadly remains unexamined. In this paper, we clarify the overlap and differences between these two concepts, and show that the effects of non-determinism, and consequently its implications for the law, become clearer from the perspective of reasoning about ML outputs as distributions over possible outcomes. This distributional viewpoint accounts for randomness by emphasizing the possible outcomes of ML. Importantly, this type of reasoning is not exclusive with current legal reasoning; it complements (and in fact can strengthen) analyses concerning individual, concrete outcomes for specific automated decisions. By illuminating the important role of non-determinism, we demonstrate that ML code falls outside of the cyberlaw frame of treating "code as law," as this frame assumes that code is deterministic. We conclude with a brief discussion of what work ML can do to constrain the potentially harm-inducing effects of non-determinism, and we indicate where the law must do work to bridge the gap between its current individual-outcome focus and the distributional approach that we recommend.

Task-free continual learning (CL) aims to learn a non-stationary data stream without explicit task definitions and not forget previous knowledge. The widely adopted memory replay approach could gradually become less effective for long data streams, as the model may memorize the stored examples and overfit the memory buffer. Second, existing methods overlook the high uncertainty in the memory data distribution since there is a big gap between the memory data distribution and the distribution of all the previous data examples. To address these problems, for the first time, we propose a principled memory evolution framework to dynamically evolve the memory data distribution by making the memory buffer gradually harder to be memorized with distributionally robust optimization (DRO). We then derive a family of methods to evolve the memory buffer data in the continuous probability measure space with Wasserstein gradient flow (WGF). The proposed DRO is w.r.t the worst-case evolved memory data distribution, thus guarantees the model performance and learns significantly more robust features than existing memory-replay-based methods. Extensive experiments on existing benchmarks demonstrate the effectiveness of the proposed methods for alleviating forgetting. As a by-product of the proposed framework, our method is more robust to adversarial examples than existing task-free CL methods. Code is available on GitHub \url{https://github.com/joey-wang123/DRO-Task-free}

Sentence Ordering refers to the task of rearranging a set of sentences into the appropriate coherent order. For this task, most previous approaches have explored global context-based end-to-end methods using Sequence Generation techniques. In this paper, we put forward a set of robust local and global context-based pairwise ordering strategies, leveraging which our prediction strategies outperform all previous works in this domain. Our proposed encoding method utilizes the paragraph's rich global contextual information to predict the pairwise order using novel transformer architectures. Analysis of the two proposed decoding strategies helps better explain error propagation in pairwise models. This approach is the most accurate pure pairwise model and our encoding strategy also significantly improves the performance of other recent approaches that use pairwise models, including the previous state-of-the-art, demonstrating the research novelty and generalizability of this work. Additionally, we show how the pre-training task for ALBERT helps it to significantly outperform BERT, despite having considerably lesser parameters. The extensive experimental results, architectural analysis and ablation studies demonstrate the effectiveness and superiority of the proposed models compared to the previous state-of-the-art, besides providing a much better understanding of the functioning of pairwise models.  ( 3 min )

In learning theory, the performance of an online policy is commonly measured in terms of the static regret metric, which compares the cumulative loss of an online policy to that of an optimal benchmark in hindsight. In the definition of static regret, the action of the benchmark policy remains fixed throughout the time horizon. Naturally, the resulting regret bounds become loose in non-stationary settings where fixed actions often suffer from poor performance. In this paper, we investigate a stronger notion of regret minimization in the context of online caching. In particular, we allow the action of the benchmark at any round to be decided by a finite state machine containing any number of states. Popular caching policies, such as LRU and FIFO, belong to this class. Using ideas from the universal prediction literature in information theory, we propose an efficient online caching policy with a sub-linear regret bound. To the best of our knowledge, this is the first data-dependent regret bound known for the caching problem in the universal setting. We establish this result by combining a recently-proposed online caching policy with an incremental parsing algorithm, namely Lempel-Ziv '78. Our methods also yield a simpler learning-theoretic proof of the improved regret bound as opposed to the involved problem-specific combinatorial arguments used in the earlier works.

Generative modeling is a promising task for near-term quantum devices, which can use the stochastic nature of quantum measurements as a random source. So called Born machines are purely quantum models and promise to generate probability distributions in a quantum way, inaccessible to classical computers. This paper presents an application of Born machines to Monte Carlo simulations and extends their reach to multivariate and conditional distributions. Models are run on (noisy) simulators and IBM Quantum superconducting quantum hardware. More specifically, Born machines are used to generate muonic force carrier (MFC) events resulting from scattering processes between muons and the detector material in high-energy physics colliders experiments. MFCs are bosons appearing in beyond-the-standard-model theoretical frameworks, which are candidates for dark matter. Empirical evidence suggests that Born machines can reproduce the marginal distributions and correlations of data sets from Monte Carlo simulations.

Recently, the development of machine learning (ML) potentials has made it possible to perform large-scale and long-time molecular simulations with the accuracy of quantum mechanical (QM) models. However, for high-level QM methods, such as density functional theory (DFT) at the meta-GGA level and/or with exact exchange, quantum Monte Carlo, etc., generating a sufficient amount of data for training a ML potential has remained computationally challenging due to their high cost. In this work, we demonstrate that this issue can be largely alleviated with Deep Kohn-Sham (DeePKS), a ML-based DFT model. DeePKS employs a computationally efficient neural network-based functional model to construct a correction term added upon a cheap DFT model. Upon training, DeePKS offers closely-matched energies and forces compared with high-level QM method, but the number of training data required is orders of magnitude less than that required for training a reliable ML potential. As such, DeePKS can serve as a bridge between expensive QM models and ML potentials: one can generate a decent amount of high-accuracy QM data to train a DeePKS model, and then use the DeePKS model to label a much larger amount of configurations to train a ML potential. This scheme for periodic systems is implemented in a DFT package ABACUS, which is open-source and ready for use in various applications.

Recently, e-learning platforms have grown as a place where students can post doubts (as a snap taken with smart phones) and get them resolved in minutes. However, the significant increase in the number of student-posted doubts with high variance in quality on these platforms not only presents challenges for teachers' navigation to address them but also increases the resolution time per doubt. Both are not acceptable, as high doubt resolution time hinders the students learning progress. This necessitates ways to automatically identify if there exists a similar doubt in repository and then serve it to the teacher as the plausible solution to validate and communicate with the student. Supervised learning techniques (like Siamese architecture) require labels to identify the matches, which is not feasible as labels are scarce and expensive. In this work, we, thus, developed a label-agnostic doubt matching paradigm based on the representations learnt via self-supervised technique. Building on prior theoretical insights of BYOL (bootstrap your own latent space), we propose custom BYOL which combines domain-specific augmentation with contrastive objective over a varied set of appropriately constructed data views. Results highlighted that, custom BYOL improves the top-1 matching accuracy by approximately 6\% and 5\% as compared to both BYOL and supervised learning instances, respectively. We further show that both BYOL-based learning instances performs either on par or better than human labeling.  ( 3 min )

Practical results have shown that deep learning optimizers using small constant learning rates, hyperparameters close to one, and large batch sizes can find the model parameters of deep neural networks that minimize the loss functions. We first show theoretical evidence that the momentum method (Momentum) and adaptive moment estimation (Adam) perform well in the sense that the upper bound of the theoretical performance measure is small with a small constant learning rate, hyperparameters close to one, and a large batch size. Next, we show that there exists a batch size called the critical batch size minimizing the stochastic first-order oracle (SFO) complexity, which is the stochastic gradient computation cost, and that SFO complexity increases once the batch size exceeds the critical batch size. Finally, we provide numerical results that support our theoretical results. That is, the numerical results indicate that Adam using a small constant learning rate, hyperparameters close to one, and the critical batch size minimizing SFO complexity has faster convergence than Momentum and stochastic gradient descent (SGD).  ( 2 min )

Current works in the generation of personalized dialogue primarily contribute to the agent presenting a consistent personality and driving a more informative response. However, we found that the generated responses from most previous models tend to be self-centered, with little care for the user in the dialogue. Moreover, we consider that human-like conversation is essentially built based on inferring information about the persona of the other party. Motivated by this, we propose a novel personalized dialogue generator by detecting an implicit user persona. Because it is hard to collect a large number of detailed personas for each user, we attempted to model the user's potential persona and its representation from dialogue history, with no external knowledge. The perception and fader variables were conceived using conditional variational inference. The two latent variables simulate the process of people being aware of each other's persona and producing a corresponding expression in conversation. Finally, posterior-discriminated regularization was presented to enhance the training procedure. Empirical studies demonstrate that, compared to state-of-the-art methods, our approach is more concerned with the user's persona and achieves a considerable boost across the evaluations.  ( 2 min )

With the improved performance of deep learning, the number of studies trying to apply deep learning to human emotion analysis is increasing rapidly. But even with this trend going on, it is still difficult to obtain high-quality images and annotations. For this reason, the Learning from Synthetic Data (LSD) Challenge, which learns from synthetic images and infers from real images, is one of the most interesting areas. In general, Domain Adaptation methods are widely used to address LSD challenges, but there is a limitation that target domains (real images) are still needed. Focusing on these limitations, we propose a framework Bootstrap Your Emotion Latent (BYEL), which uses only synthetic images in training. BYEL is implemented by adding Emotion Classifiers and Emotion Vector Subtraction to the BYOL framework that performs well in Self-Supervised Representation Learning. We train our framework using synthetic images generated from the Aff-wild2 dataset and evaluate it using real images from the Aff-wild2 dataset. The result shows that our framework (0.3084) performs 2.8% higher than the baseline (0.3) on the macro F1 score metric.

Robustness and stability of image-reconstruction algorithms have recently come under scrutiny. Their importance to medical imaging cannot be overstated. We review the known results for the topical variational regularization strategies ($\ell_2$ and $\ell_1$ regularization) and present novel stability results for $\ell_p$-regularized linear inverse problems for $p\in(1,\infty)$. Our results guarantee Lipschitz continuity for small $p$ and H\"{o}lder continuity for larger $p$. They generalize well to the $L_p(\Omega)$ function spaces.

Predicting structural and energetic properties of a molecular system is one of the fundamental tasks in molecular simulations, and it has use cases in chemistry, biology, and medicine. In the past decade, the advent of machine learning algorithms has impacted on molecular simulations for various tasks, including property prediction of atomistic systems. In this paper, we propose a novel methodology for transferring knowledge obtained from simple molecular systems to a more complex one, possessing a significantly larger number of atoms and degrees of freedom. In particular, we focus on the classification of high and low free-energy states. Our approach relies on utilizing (i) a novel hypergraph representation of molecules, encoding all relevant information for characterizing the potential energy of a conformation, and (ii) novel message passing and pooling layers for processing and making predictions on such hypergraph-structured data. Despite the complexity of the problem, our results show a remarkable AUC of 0.92 for transfer learning from tri-alanine to the deca-alanine system. Moreover, we show that the very same transfer learning approach can be used to group, in an unsupervised way, various secondary structures of deca-alanine in clusters having similar free-energy values. Our study represents a proof of concept that reliable transfer learning models for molecular systems can be designed paving the way to unexplored routes in prediction of structural and energetic properties of biologically relevant systems.

There has been growing interest in generalization performance of large multilayer neural networks that can be trained to achieve zero training error, while generalizing well on test data. This regime is known as 'second descent' and it appears to contradict the conventional view that optimal model complexity should reflect an optimal balance between underfitting and overfitting, i.e., the bias-variance trade-off. This paper presents a VC-theoretical analysis of double descent and shows that it can be fully explained by classical VC-generalization bounds. We illustrate an application of analytic VC-bounds for modeling double descent for classification problems, using empirical results for several learning methods, such as SVM, Least Squares, and Multilayer Perceptron classifiers. In addition, we discuss several reasons for the misinterpretation of VC-theoretical results in Deep Learning community.

While a broad range of techniques have been proposed to tackle distribution shift, the simple baseline of training on an $\textit{undersampled}$ dataset often achieves close to state-of-the-art-accuracy across several popular benchmarks. This is rather surprising, since undersampling algorithms discard excess majority group data. To understand this phenomenon, we ask if learning is fundamentally constrained by a lack of minority group samples. We prove that this is indeed the case in the setting of nonparametric binary classification. Our results show that in the worst case, an algorithm cannot outperform undersampling unless there is a high degree of overlap between the train and test distributions (which is unlikely to be the case in real-world datasets), or if the algorithm leverages additional structure about the distribution shift. In particular, in the case of label shift we show that there is always an undersampling algorithm that is minimax optimal. While in the case of group-covariate shift we show that there is an undersampling algorithm that is minimax optimal when the overlap between the group distributions is small. We also perform an experimental case study on a label shift dataset and find that in line with our theory the test accuracy of robust neural network classifiers is constrained by the number of minority samples.

In this paper, we consider the meta learning problem for estimating the graphs associated with high-dimensional Ising models, using the method of $\ell_1$-regularized logistic regression for neighborhood selection of each node. Our goal is to use the information learned from the auxiliary tasks in the learning of the novel task to reduce its sufficient sample complexity. To this end, we propose a novel generative model as well as an improper estimation method. In our setting, all the tasks are \emph{similar} in their \emph{random} model parameters and supports. By pooling all the samples from the auxiliary tasks to \emph{improperly} estimate a single parameter vector, we can recover the true support union, assumed small in size, with a high probability with a sufficient sample complexity of $\Omega(1) $ per task, for $K = \Omega(d^3 \log p ) $ tasks of Ising models with $p$ nodes and a maximum neighborhood size $d$. Then, with the support for the novel task restricted to the estimated support union, we prove that consistent neighborhood selection for the novel task can be obtained with a reduced sufficient sample complexity of $\Omega(d^3 \log d)$.

Positive-unlabeled (PU) learning deals with binary classification problems when only positive (P) and unlabeled (U) data are available. A lot of PU methods based on linear models and neural networks have been proposed; however, there is still a lack of study on boosting algorithms for PU learning, while a traditional boosting algorithm with simple base learners may perform better than neural networks. We propose a novel boosting algorithm for PU learning: Ada-PU, which compares against neural networks. Ada-PU follows the general procedure of AdaBoost, while P data are regarded as positive and negative simultaneously. Three distributions of PU data are maintained and updated in Ada-PU instead of one in the ordinary supervised (PN) learning. After a weak classifier is learned on the newly updated distribution, the corresponding weight of the classifier for the final ensemble is estimated using only PU data. We demonstrated that the proposed method is guaranteed to keep three theoretical properties of boosting algorithms with a defined set of base classifiers. In experiments, we showed that Ada-PU outperforms neural networks on benchmark PU datasets. We also study a real-world dataset UNSW-NB15 in cyber security and demonstrated that Ada-PU has superior performance for malicious activity detection.

The increasing popularity of the federated learning framework due to its success in a wide range of collaborative learning tasks also induces certain security concerns regarding the learned model due to the possibility of malicious clients participating in the learning process. Hence, the objective is to neutralize the impact of the malicious participants and to ensure the final model is trustable. One common observation regarding the Byzantine attacks is that the higher the variance among the clients' models/updates, the more space for attacks to be hidden. To this end, it has been recently shown that by utilizing momentum, thus reducing the variance, it is possible to weaken the strength of the known Byzantine attacks. The Centered Clipping framework (ICML 2021) has further shown that, besides reducing the variance, the momentum term from the previous iteration can be used as a reference point to neutralize the Byzantine attacks and show impressive performance against well-known attacks. However, in the scope of this work, we show that the centered clipping framework has certain vulnerabilities, and existing attacks can be revised based on these vulnerabilities to circumvent the centered clipping defense. Hence, we introduce a strategy to design an attack to circumvent the centered clipping framework and numerically illustrate its effectiveness against centered clipping as well as other known defense strategies by reducing test accuracy to 5-40 on best-case scenarios.

A powerful category of data poisoning attacks modify a subset of training examples by small adversarial perturbations to change the prediction of certain test-time data. Existing defense mechanisms are not desirable to deploy in practice, as they often drastically harm the generalization performance, or are attack-specific and prohibitively slow to apply. Here, we propose a simple but highly effective approach that unlike existing methods breaks various types of poisoning attacks with the slightest drop in the generalization performance. We make the key observation that attacks exploit sharp loss regions to craft adversarial perturbations which can substantially alter examples' gradient or representations under small perturbations. To break poisoning attacks, our approach comprises two components: an optimized friendly noise that is generated to maximally perturb examples without degrading the performance, and a random varying noise component. The first component takes examples farther away from the sharp loss regions, and the second component smooths out the loss landscape. The combination of both components builds a very light-weight but extremely effective defense against the most powerful triggerless targeted and hidden-trigger backdoor poisoning attacks, including Gradient Matching, Bulls-eye Polytope, and Sleeper Agent. We show that our friendly noise is transferable to other architectures, and adaptive attacks cannot break our defense due to its random noise component.

Self-supervised learning (SSL), as a newly emerging unsupervised representation learning paradigm, generally follows a two-stage learning pipeline: 1) learning invariant and discriminative representations with auto-annotation pretext(s), then 2) transferring the representations to assist downstream task(s). Such two stages are usually implemented separately, making the learned representation learned agnostic to the downstream tasks. Currently, most works are devoted to exploring the first stage. Whereas, it is less studied on how to learn downstream tasks with limited labeled data using the already learned representations. Especially, it is crucial and challenging to selectively utilize the complementary representations from diverse pretexts for a downstream task. In this paper, we technically propose a novel solution by leveraging the attention mechanism to adaptively squeeze suitable representations for the tasks. Meanwhile, resorting to information theory, we theoretically prove that gathering representation from diverse pretexts is more effective than a single one. Extensive experiments validate that our scheme significantly exceeds current popular pretext-matching based methods in gathering knowledge and relieving negative transfer in downstream tasks.

A novel sparse array (SA) structure is proposed based on the maximum inter-element spacing (IES) constraint (MISC) criterion. Compared with the traditional MISC array, the proposed SA configurations, termed as improved MISC (IMISC) has significantly increased uniform degrees of freedom (uDOF) and reduced mutual coupling. In particular, the IMISC arrays are composed of six uniform linear arrays (ULAs), which can be determined by an IES set. The IES set is constrained by two parameters, namely the maximum IES and the number of sensors. The uDOF of the IMISC arrays is derived and the weight function of the IMISC arrays is analyzed as well. The proposed IMISC arrays have a great advantage in terms of uDOF against the existing SAs, while their mutual coupling remains at a low level. Simulations are carried out to demonstrate the advantages of the IMISC arrays.

Graph neural networks (GNNs) have been shown to possess strong representation power, which can be exploited for downstream prediction tasks on graph-structured data, such as molecules and social networks. They typically learn representations by aggregating information from the $K$-hop neighborhood of individual vertices or from the enumerated walks in the graph. Prior studies have demonstrated the effectiveness of incorporating weighting schemes into GNNs; however, this has been primarily limited to $K$-hop neighborhood GNNs so far. In this paper, we aim to design an algorithm incorporating weighting schemes into walk-aggregating GNNs and analyze their effect. We propose a novel GNN model, called AWARE, that aggregates information about the walks in the graph using attention schemes. This leads to an end-to-end supervised learning method for graph-level prediction tasks in the standard setting where the input is the adjacency and vertex information of a graph, and the output is a predicted label for the graph. We then perform theoretical, empirical, and interpretability analyses of AWARE. Our theoretical analysis in a simplified setting identifies successful conditions for provable guarantees, demonstrating how the graph information is encoded in the representation, and how the weighting schemes in AWARE affect the representation and learning performance. Our experiments demonstrate the strong performance of AWARE in graph-level prediction tasks in the standard setting in the domains of molecular property prediction and social networks. Lastly, our interpretation study illustrates that AWARE can successfully capture the important substructures of the input graph. The code is available on $\href{https://github.com/mehmetfdemirel/aware}{GitHub}$.

With rising powerful, low-cost embedded devices, the edge computing has become an increasingly popular choice. In this paper, we propose a new incremental local stochastic gradient descent (SGD) tailored on the Raspberry Pi to deal with large ImageNet ILSVRC 2010 dataset having 1,261,405 images with 1,000 classes. The local SGD splits the data block into $k$ partitions using $k$means algorithm and then it learns in the parallel way SGD models in each data partition to classify the data locally. The incremental local SGD sequentially loads small data blocks of the training dataset to learn local SGD models. The numerical test results on Imagenet dataset show that our incremental local SGD algorithm with the Raspberry Pi 4 is faster and more accurate than the state-of-the-art linear SVM run on a PC Intel(R) Core i7-4790 CPU, 3.6 GHz, 4 cores.

We present a well-structured detailed exposition of a well-known proof of the following celebrated result solving Hilbert's 13th problem on superpositions. For functions of 2 variables the statement is as follows. Kolmogorov Theorem. There are continuous functions $\varphi_1,\ldots,\varphi_5 : [\,0, 1\,]\to [\,0,1\,]$ such that for any continuous function $f: [\,0,1\,]^2\to\mathbb R$ there is a continuous function $h: [\,0,3\,]\to\mathbb R$ such that for any $x,y\in [\,0, 1\,]$ we have $$f(x,y)=\sum\limits_{k=1}^5 h\left(\varphi_k(x)+\sqrt{2}\,\varphi_k(y)\right).$$ The proof is accessible to non-specialists, in particular, to students familiar with only basic properties of continuous functions.

With the increasing prevalence of video recordings there is a growing need for tools that can maintain the privacy of those recorded. In this paper, we define an approach for redacting personally identifiable text from videos using a combination of optical character recognition (OCR) and natural language processing (NLP) techniques. We examine the relative performance of this approach when used with different OCR models, specifically Tesseract and the OCR system from Google Cloud Vision (GCV). For the proposed approach the performance of GCV, in both accuracy and speed, is significantly higher than Tesseract. Finally, we explore the advantages and disadvantages of both models in real-world applications.

Goal-conditioned Hierarchical Reinforcement Learning (HRL) is a promising approach for scaling up reinforcement learning (RL) techniques. However, it often suffers from training inefficiency as the action space of the high-level, i.e., the goal space, is large. Searching in a large goal space poses difficulty for both high-level subgoal generation and low-level policy learning. In this paper, we show that this problem can be effectively alleviated by restricting the high-level action space from the whole goal space to a $k$-step adjacent region of the current state using an adjacency constraint. We theoretically prove that in a deterministic Markov Decision Process (MDP), the proposed adjacency constraint preserves the optimal hierarchical policy, while in a stochastic MDP the adjacency constraint induces a bounded state-value suboptimality determined by the MDP's transition structure. We further show that this constraint can be practically implemented by training an adjacency network that can discriminate between adjacent and non-adjacent subgoals. Experimental results on discrete and continuous control tasks including challenging simulated robot locomotion and manipulation tasks show that incorporating the adjacency constraint significantly boosts the performance of state-of-the-art goal-conditioned HRL approaches.

A self-supervised multi-task learning (SSMTL) framework for video anomaly detection was recently introduced in literature. Due to its highly accurate results, the method attracted the attention of many researchers. In this work, we revisit the self-supervised multi-task learning framework, proposing several updates to the original method. First, we study various detection methods, e.g. based on detecting high-motion regions using optical flow or background subtraction, since we believe the currently used pre-trained YOLOv3 is suboptimal, e.g. objects in motion or objects from unknown classes are never detected. Second, we modernize the 3D convolutional backbone by introducing multi-head self-attention modules, inspired by the recent success of vision transformers. As such, we alternatively introduce both 2D and 3D convolutional vision transformer (CvT) blocks. Third, in our attempt to further improve the model, we study additional self-supervised learning tasks, such as predicting segmentation maps through knowledge distillation, solving jigsaw puzzles, estimating body pose through knowledge distillation, predicting masked regions (inpainting), and adversarial learning with pseudo-anomalies. We conduct experiments to assess the performance impact of the introduced changes. Upon finding more promising configurations of the framework, dubbed SSMTL++v1 and SSMTL++v2, we extend our preliminary experiments to more data sets, demonstrating that our performance gains are consistent across all data sets. In most cases, our results on Avenue, ShanghaiTech and UBnormal raise the state-of-the-art performance bar to a new level.

Understanding model predictions is critical in healthcare, to facilitate rapid verification of model correctness and to guard against use of models that exploit confounding variables. We introduce the challenging new task of explainable multiple abnormality classification in volumetric medical images, in which a model must indicate the regions used to predict each abnormality. To solve this task, we propose a multiple instance learning convolutional neural network, AxialNet, that allows identification of top slices for each abnormality. Next we incorporate HiResCAM, an attention mechanism, to identify sub-slice regions. We prove that for AxialNet, HiResCAM explanations are guaranteed to reflect the locations the model used, unlike Grad-CAM which sometimes highlights irrelevant locations. Armed with a model that produces faithful explanations, we then aim to improve the model's learning through a novel mask loss that leverages HiResCAM and 3D allowed regions to encourage the model to predict abnormalities based only on the organs in which those abnormalities appear. The 3D allowed regions are obtained automatically through a new approach, PARTITION, that combines location information extracted from radiology reports with organ segmentation maps obtained through morphological image processing. Overall, we propose the first model for explainable multi-abnormality prediction in volumetric medical images, and then use the mask loss to achieve a 33% improvement in organ localization of multiple abnormalities in the RAD-ChestCT data set of 36,316 scans, representing the state of the art. This work advances the clinical applicability of multiple abnormality modeling in chest CT volumes.

A variety of problems in econometrics and machine learning, including instrumental variable regression and Bellman residual minimization, can be formulated as satisfying a set of conditional moment restrictions (CMR). We derive a general, game-theoretic strategy for satisfying CMR that scales to nonlinear problems, is amenable to gradient-based optimization, and is able to account for finite sample uncertainty. We recover the approaches of Dikkala et al. and Dai et al. as special cases of our general framework before detailing various extensions and how to efficiently solve the game defined by CMR.

There is growing interest in the challenging visual perception task of learning from long-tailed class distributions. The extreme class imbalance in the training dataset biases the model to prefer recognizing majority class data over minority class data. Furthermore, the lack of diversity in minority class samples makes it difficult to find a good representation. In this paper, we propose an effective data augmentation method, referred to as bilateral mixup augmentation, which can improve the performance of long-tailed visual recognition. The bilateral mixup augmentation combines two samples generated by a uniform sampler and a re-balanced sampler and augments the training dataset to enhance the representation learning for minority classes. We also reduce the classifier bias using class-wise temperature scaling, which scales the logits differently per class in the training phase. We apply both ideas to the dual-branch network (DBN) framework, presenting a new model, named dual-branch network with bilateral mixup (DBN-Mix). Experiments on popular long-tailed visual recognition datasets show that DBN-Mix improves performance significantly over baseline and that the proposed method achieves state-of-the-art performance in some categories of benchmarks.

Graphs are widely used to model the relational structure of data, and the research of graph machine learning (ML) has a wide spectrum of applications ranging from drug design in molecular graphs to friendship recommendation in social networks. Prevailing approaches for graph ML typically require abundant labeled instances in achieving satisfactory results, which is commonly infeasible in real-world scenarios since labeled data for newly emerged concepts (e.g., new categorizations of nodes) on graphs is limited. Though meta-learning has been applied to different few-shot graph learning problems, most existing efforts predominately assume that all the data from those seen classes is gold-labeled, while those methods may lose their efficacy when the seen data is weakly-labeled with severe label noise. As such, we aim to investigate a novel problem of weakly-supervised graph meta-learning for improving the model robustness in terms of knowledge transfer. To achieve this goal, we propose a new graph meta-learning framework -- Graph Hallucination Networks (Meta-GHN) in this paper. Based on a new robustness-enhanced episodic training, Meta-GHN is meta-learned to hallucinate clean node representations from weakly-labeled data and extracts highly transferable meta-knowledge, which enables the model to quickly adapt to unseen tasks with few labeled instances. Extensive experiments demonstrate the superiority of Meta-GHN over existing graph meta-learning studies on the task of weakly-supervised few-shot node classification.

The author's recent research papers, "Cumulative deviation of a subpopulation from the full population" and "A graphical method of cumulative differences between two subpopulations" (both published in volume 8 of Springer's open-access "Journal of Big Data" during 2021), propose graphical methods and summary statistics, without extensively calibrating formal significance tests. The summary metrics and methods can measure the calibration of probabilistic predictions and can assess differences in responses between a subpopulation and the full population while controlling for a covariate or score via conditioning on it. These recently published papers construct significance tests based on the scalar summary statistics, but only sketch how to calibrate the attained significance levels (also known as "P-values") for the tests. The present article reviews and synthesizes work spanning many decades in order to detail how to calibrate the P-values. The present paper presents computationally efficient, easily implemented numerical methods for evaluating properly calibrated P-values, together with rigorous mathematical proofs guaranteeing their accuracy, and illustrates and validates the methods with open-source software and numerical examples.

Differentiable simulators promise faster computation time for reinforcement learning by replacing zeroth-order gradient estimates of a stochastic objective with an estimate based on first-order gradients. However, it is yet unclear what factors decide the performance of the two estimators on complex landscapes that involve long-horizon planning and control on physical systems, despite the crucial relevance of this question for the utility of differentiable simulators. We show that characteristics of certain physical systems, such as stiffness or discontinuities, may compromise the efficacy of the first-order estimator, and analyze this phenomenon through the lens of bias and variance. We additionally propose an $\alpha$-order gradient estimator, with $\alpha \in [0,1]$, which correctly utilizes exact gradients to combine the efficiency of first-order estimates with the robustness of zero-order methods. We demonstrate the pitfalls of traditional estimators and the advantages of the $\alpha$-order estimator on some numerical examples.

As a remarkable compact model, ShuffleNetV2 offers a good example to design efficient ConvNets but its limit is rarely noticed. In this paper, we rethink the design pattern of ShuffleNetV2 and find that the channel-wise redundancy problem still constrains the efficiency improvement of Shuffle block in the wider ShuffleNetV2. To resolve this issue, we propose another augmented variant of shuffle block in the form of bottleneck-like structure and more implicit short connections. To verify the effectiveness of this building block, we further build a more powerful and efficient model family, termed as AugShuffleNets. Evaluated on the CIFAR-10 and CIFAR-100 datasets, AugShuffleNet consistently outperforms ShuffleNetV2 in terms of accuracy with less computational cost and fewer parameter count.

This paper presents the network load balancing problem, a challenging real-world task for multi-agent reinforcement learning (MARL) methods. Traditional heuristic solutions like Weighted-Cost Multi-Path (WCMP) and Local Shortest Queue (LSQ) are less flexible to the changing workload distributions and arrival rates, with a poor balance among multiple load balancers. The cooperative network load balancing task is formulated as a Dec-POMDP problem, which naturally induces the MARL methods. To bridge the reality gap for applying learning-based methods, all methods are directly trained and evaluated on an emulation system from moderate-to large-scale. Experiments on realistic testbeds show that the independent and "selfish" load balancing strategies are not necessarily the globally optimal ones, while the proposed MARL solution has a superior performance over different realistic settings. Additionally, the potential difficulties of MARL methods for network load balancing are analysed, which helps to draw the attention of the learning and network communities to such challenges.

Matrix factorization (MF) has been widely applied to collaborative filtering in recommendation systems. Its Bayesian variants can derive posterior distributions of user and item embeddings, and are more robust to sparse ratings. However, the Bayesian methods are restricted by their update rules for the posterior parameters due to the conjugacy of the priors and the likelihood. Variational autoencoders (VAE) can address this issue by capturing complex mappings between the posterior parameters and the data. However, current research on VAEs for collaborative filtering only considers the mappings based on the explicit data information while the implicit embedding information is overlooked. In this paper, we first derive evidence lower bounds (ELBO) for Bayesian MF models from two viewpoints: user-oriented and item-oriented. Based on the ELBOs, we propose a VAE-based Bayesian MF framework. It leverages not only the data but also the embedding information to approximate the user-item joint distribution. As suggested by the ELBOs, the approximation is iterative with cross feedback of user and item embeddings into each other's encoders. More specifically, user embeddings sampled at the previous iteration are fed to the item-side encoders to estimate the posterior parameters for the item embeddings at the current iteration, and vice versa. The estimation also attends to the cross-fed embeddings to further exploit useful information. The decoder then reconstructs the data via the matrix factorization over the currently re-sampled user and item embeddings.

We study goal misgeneralization, a type of out-of-distribution generalization failure in reinforcement learning (RL). Goal misgeneralization failures occur when an RL agent retains its capabilities out-of-distribution yet pursues the wrong goal. For instance, an agent might continue to competently avoid obstacles, but navigate to the wrong place. In contrast, previous works have typically focused on capability generalization failures, where an agent fails to do anything sensible at test time. We formalize this distinction between capability and goal generalization, provide the first empirical demonstrations of goal misgeneralization, and present a partial characterization of its causes.

Arrays of quantum dots (QDs) are a promising candidate system to realize scalable, coupled qubits systems and serve as a fundamental building block for quantum computers. In such semiconductor quantum systems, devices now have tens of individual electrostatic and dynamical voltages that must be carefully set to localize the system into the single-electron regime and to realize good qubit operational performance. The mapping of requisite QD locations and charges to gate voltages presents a challenging classical control problem. With an increasing number of QD qubits, the relevant parameter space grows sufficiently to make heuristic control unfeasible.In recent years, there has been a considerable effort to automate device control that combines script-based algorithms with machine learning (ML) techniques. In this colloquium, we present a comprehensive overview of the recent progress in the automation of QD device control, with a particular emphasis on silicon- and GaAs-based QDs formed in two-dimensional electron gases. Combining physics-based modeling with modern numerical optimization and ML has proven quite effective in yielding efficient, scalable control. Further integration of theoretical, computational, and experimental efforts with computer science and ML holds tremendous potential in advancing semiconductor and other platforms for quantum computing.

Battery energy storage system (BESS) can effec-tively mitigate the uncertainty of variable renewable generation. Degradation is unpreventable and hard to model and predict for batteries such as the most popular Lithium-ion battery (LiB). In this paper, we propose a data driven method to predict the bat-tery degradation per a given scheduled battery operational pro-file. Particularly, a neural network based battery degradation (NNBD) model is proposed to quantify the battery degradation with inputs of major battery degradation factors. When incorpo-rating the proposed NNBD model into microgrid day-ahead scheduling (MDS), we can establish a battery degradation based MDS (BDMDS) model that can consider the equivalent battery degradation cost precisely with the proposed cycle based battery usage processing (CBUP) method for the NNBD model. Since the proposed NNBD model is highly non-linear and non-convex, BDMDS would be very hard to solve. To address this issue, a neural network and optimization decoupled heuristic (NNODH) algorithm is proposed in this paper to effectively solve this neural network embedded optimization problem. Simulation results demonstrate that the proposed NNODH algorithm is able to ob-tain the optimal solution with lowest total cost including normal operation cost and battery degradation cost.

Understanding vision and language representations of product content is vital for search and recommendation applications in e-commerce. As a backbone for online shopping platforms and inspired by the recent success in representation learning research, we propose a contrastive learning framework that aligns language and visual models using unlabeled raw product text and images. We present techniques we used to train large-scale representation learning models and share solutions that address domain-specific challenges. We study the performance using our pre-trained model as backbones for diverse downstream tasks, including category classification, attribute extraction, product matching, product clustering, and adult product recognition. Experimental results show that our proposed method outperforms the baseline in each downstream task regarding both single modality and multiple modalities.

This article proposes Convolutional Neural Network-based Auto Encoder (CNN-AE) to predict location-dependent rate and coverage probability of a network from its topology. We train the CNN utilising BS location data of India, Brazil, Germany, and the USA and compare its performance with stochastic geometry (SG) based analytical models. In comparison to the best-fitted SG-based model, CNN-AE improves the coverage and rate prediction errors by a margin of as large as $40\%$ and $25\%$ respectively. As an application, we propose a low complexity, provably convergent algorithm that, using trained CNN-AE, can compute locations of new BSs that need to be deployed in a network in order to satisfy pre-defined spatially heterogeneous performance goals.

Gradient boosted trees are competition-winning, general-purpose, non-parametric regressors, which exploit sequential model fitting and gradient descent to minimize a specific loss function. The most popular implementations are tailored to univariate regression and classification tasks, precluding the possibility of capturing multivariate target cross-correlations and applying structured penalties to the predictions. In this paper, we present a computationally efficient algorithm for fitting multivariate boosted trees. We show that multivariate trees can outperform their univariate counterpart when the predictions are correlated. Furthermore, the algorithm allows to arbitrarily regularize the predictions, so that properties like smoothness, consistency and functional relations can be enforced. We present applications and numerical results related to forecasting and control.

In a decentralized household energy system comprised of various devices such as home appliances, electric vehicles, and solar panels, end-users are able to dig deeper into the system's details and further achieve energy sustainability if they are presented with data on the electric energy consumption and production at the granularity of the device. However, many databases in this field are siloed from other domains, including solely information pertaining to energy. This may result in the loss of information (\textit{e.g.} weather) on each device's energy use. Meanwhile, a large number of these datasets have been extensively used in computational modeling techniques such as machine learning models. While such computational approaches achieve great accuracy and performance by concentrating only on a local view of datasets, model reliability cannot be guaranteed since such models are very vulnerable to data input fluctuations when information omission is taken into account. This article tackles the data isolation issue in the field of smart energy systems by examining Semantic Web methods on top of a household energy system. We offer an ontology-based approach for managing decentralized data at the device-level resolution in a system. As a consequence, the scope of the data associated with each device may easily be expanded in an interoperable manner throughout the Web, and additional information, such as weather, can be obtained from the Web, provided that the data is organized according to W3C standards.

We consider model-free reinforcement learning (RL) in non-stationary Markov decision processes. Both the reward functions and the state transition functions are allowed to vary arbitrarily over time as long as their cumulative variations do not exceed certain variation budgets. We propose Restarted Q-Learning with Upper Confidence Bounds (RestartQ-UCB), the first model-free algorithm for non-stationary RL, and show that it outperforms existing solutions in terms of dynamic regret. Specifically, RestartQ-UCB with Freedman-type bonus terms achieves a dynamic regret bound of $\widetilde{O}(S^{\frac{1}{3}} A^{\frac{1}{3}} \Delta^{\frac{1}{3}} H T^{\frac{2}{3}})$, where $S$ and $A$ are the numbers of states and actions, respectively, $\Delta>0$ is the variation budget, $H$ is the number of time steps per episode, and $T$ is the total number of time steps. We further present a parameter-free algorithm named Double-Restart Q-UCB that does not require prior knowledge of the variation budget. We show that our algorithms are \emph{nearly optimal} by establishing an information-theoretical lower bound of $\Omega(S^{\frac{1}{3}} A^{\frac{1}{3}} \Delta^{\frac{1}{3}} H^{\frac{2}{3}} T^{\frac{2}{3}})$, the first lower bound in non-stationary RL. Numerical experiments validate the advantages of RestartQ-UCB in terms of both cumulative rewards and computational efficiency. We demonstrate the power of our results in examples of multi-agent RL and inventory control across related products.

In this work we introduce a new transformer architecture called SparseDistilBERT (SDBERT), which is a combination of sparse attention and knowledge distillantion (KD). We implemented sparse attention mechanism to reduce quadratic dependency on input length to linear. In addition to reducing computational complexity of the model, we used knowledge distillation (KD). We were able to reduce the size of BERT model by 60% while retaining 97% performance and it only took 40% of time to train.

Solid texture synthesis (STS), an effective way to extend a 2D exemplar to a 3D solid volume, exhibits advantages in numerous application domains. However, existing methods generally fail to accurately learn arbitrary textures, which may result in the failure to synthesize solid textures with high fidelity. In this paper, we propose a novel generative adversarial nets-based framework (STS-GAN) to hierarchically learn arbitrary solid textures. In STS-GAN, multi-scale discriminators evaluate the similarity between patch from exemplar and slice from the generated volume, promoting the generator synthesizing realistic solid textures. Finally, experimental results demonstrate that the proposed method can generate high-fidelity solid textures with similar visual characteristics to the exemplar.

Several decades ago the Proximal Point Algorithm (PPA) started to gain a long-lasting attraction for both abstract operator theory and numerical optimization communities. Even in modern applications, researchers still use proximal minimization theory to design scalable algorithms that overcome nonsmoothness. Remarkable works as \cite{Fer:91,Ber:82constrained,Ber:89parallel,Tom:11} established tight relations between the convergence behaviour of PPA and the regularity of the objective function. In this manuscript we derive nonasymptotic iteration complexity of exact and inexact PPA to minimize convex functions under $\gamma-$Holderian growth: $\BigO{\log(1/\epsilon)}$ (for $\gamma \in [1,2]$) and $\BigO{1/\epsilon^{\gamma - 2}}$ (for $\gamma > 2$). In particular, we recover well-known results on PPA: finite convergence for sharp minima and linear convergence for quadratic growth, even under presence of deterministic noise. Moreover, when a simple Proximal Subgradient Method is recurrently called as an inner routine for computing each IPPA iterate, novel computational complexity bounds are obtained for Restarting Inexact PPA. Our numerical tests show improvements over existing restarting versions of the Subgradient Method.

We study solution methods for (strongly-)convex-(strongly)-concave Saddle-Point Problems (SPPs) over networks of two type - master/workers (thus centralized) architectures and meshed (thus decentralized) networks. The local functions at each node are assumed to be similar, due to statistical data similarity or otherwise. We establish lower complexity bounds for a fairly general class of algorithms solving the SPP. We show that a given suboptimality $\epsilon>0$ is achieved over master/workers networks in $\Omega\big(\Delta\cdot \delta/\mu\cdot \log (1/\varepsilon)\big)$ rounds of communications, where $\delta>0$ measures the degree of similarity of the local functions, $\mu$ is their strong convexity constant, and $\Delta$ is the diameter of the network. The lower communication complexity bound over meshed networks reads $\Omega\big(1/{\sqrt{\rho}} \cdot {\delta}/{\mu}\cdot\log (1/\varepsilon)\big)$, where $\rho$ is the (normalized) eigengap of the gossip matrix used for the communication between neighbouring nodes. We then propose algorithms matching the lower bounds over either types of networks (up to log-factors). We assess the effectiveness of the proposed algorithms on a robust logistic regression problem.

Link-adaptation (LA) is one of the most important aspects of wireless communications where the modulation and coding scheme (MCS) used by the transmitter is adapted to the channel conditions in order to meet a certain target error-rate. In a single-user SISO (SU-SISO) system with out-of-cell interference, LA is performed by computing the post-equalization signal-to-interference-noise ratio (SINR) at the receiver. The same technique can be employed in multi-user MIMO (MU-MIMO) receivers that use linear detectors. Another important use of post-equalization SINR is for physical layer (PHY) abstraction, where several PHY blocks like the channel encoder, the detector, and the channel decoder are replaced by an abstraction model in order to speed up system-level simulations. However, for MU-MIMO systems with non-linear receivers, there is no known equivalent of post-equalization SINR which makes both LA and PHY abstraction extremely challenging. This important issue is addressed in this two-part paper. In this part, a metric called the bit-metric decoding rate (BMDR) of a detector, which is the proposed equivalent of post-equalization SINR, is presented. Since BMDR does not have a closed form expression that would enable its instantaneous calculation, a machine-learning approach to predict it is presented along with extensive simulation results.

In this paper, we propose a novel subspace learning framework for one-class classification. The proposed framework presents the problem in the form of graph embedding. It includes the previously proposed subspace one-class techniques as its special cases and provides further insight on what these techniques actually optimize. The framework allows to incorporate other meaningful optimization goals via the graph preserving criterion and reveals a spectral solution and a spectral regression-based solution as alternatives to the previously used gradient-based technique. We combine the subspace learning framework iteratively with Support Vector Data Description applied in the subspace to formulate Graph-Embedded Subspace Support Vector Data Description. We experimentally analyzed the performance of newly proposed different variants. We demonstrate improved performance against the baselines and the recently proposed subspace learning methods for one-class classification.

We study a theory of reinforcement learning (RL) in which the learner receives binary feedback only once at the end of an episode. While this is an extreme test case for theory, it is also arguably more representative of real-world applications than the traditional requirement in RL practice that the learner receive feedback at every time step. Indeed, in many real-world applications of reinforcement learning, such as self-driving cars and robotics, it is easier to evaluate whether a learner's complete trajectory was either "good" or "bad," but harder to provide a reward signal at each step. To show that learning is possible in this more challenging setting, we study the case where trajectory labels are generated by an unknown parametric model, and provide a statistically and computationally efficient algorithm that achieves sublinear regret.

We propose a universal Graph Neural Network architecture which can be trained as an end-2-end search heuristic for any Constraint Satisfaction Problem (CSP). Our architecture can be trained unsupervised with policy gradient descent to generate problem specific heuristics for any CSP in a purely data driven manner. The approach is based on a novel graph representation for CSPs that is both generic and compact and enables us to process every possible CSP instance with one GNN, regardless of constraint arity, relations or domain size. Unlike previous RL-based methods, we operate on a global search action space and allow our GNN to modify any number of variables in every step of the stochastic search. This enables our method to properly leverage the inherent parallelism of GNNs. We perform a thorough empirical evaluation where we learn heuristics for well known and important CSPs from random data, including graph coloring, MaxCut, 3-SAT and MAX-k-SAT. Our approach outperforms prior approaches for neural combinatorial optimization by a substantial margin. It can compete with, and even improve upon, conventional search heuristics on test instances that are several orders of magnitude larger and structurally more complex than those seen during training.

Depression is a serious mental illness that impacts the way people communicate, especially through their emotions, and, allegedly, the way they interact with others. This work examines depression signals in dialogs, a less studied setting that suffers from data sparsity. We hypothesize that depression and emotion can inform each other, and we propose to explore the influence of dialog structure through topic and dialog act prediction. We investigate a Multi-Task Learning (MTL) approach, where all tasks mentioned above are learned jointly with dialog-tailored hierarchical modeling. We experiment on the DAIC and DailyDialog corpora-both contain dialogs in English-and show important improvements over state-ofthe-art on depression detection (at best 70.6% F 1), which demonstrates the correlation of depression with emotion and dialog organization and the power of MTL to leverage information from different sources.

A recent line of work has analyzed the theoretical properties of deep neural networks via the Neural Tangent Kernel (NTK). In particular, the smallest eigenvalue of the NTK has been related to the memorization capacity, the global convergence of gradient descent algorithms and the generalization of deep nets. However, existing results either provide bounds in the two-layer setting or assume that the spectrum of the NTK matrices is bounded away from 0 for multi-layer networks. In this paper, we provide tight bounds on the smallest eigenvalue of NTK matrices for deep ReLU nets, both in the limiting case of infinite widths and for finite widths. In the finite-width setting, the network architectures we consider are fairly general: we require the existence of a wide layer with roughly order of $N$ neurons, $N$ being the number of data samples; and the scaling of the remaining layer widths is arbitrary (up to logarithmic factors). To obtain our results, we analyze various quantities of independent interest: we give lower bounds on the smallest singular value of hidden feature matrices, and upper bounds on the Lipschitz constant of input-output feature maps.

Abnormal states in deep reinforcement learning~(RL) are states that are beyond the scope of an RL policy. Such states may lead to sub-optimal and unsafe decision making for the RL system, impeding its deployment in real scenarios. In this paper, we propose a simple yet effective anomaly detection framework for deep RL algorithms that simultaneously considers random, adversarial and out-of-distribution~(OOD) state outliers. In particular, we attain the class-conditional distributions for each action class under the Gaussian assumption, and rely on these distributions to discriminate between inliers and outliers based on Mahalanobis Distance~(MD) and Robust Mahalanobis Distance. We conduct extensive experiments on Atari games that verify the effectiveness of our detection strategies. To the best of our knowledge, we present the first in-detail study of statistical and adversarial anomaly detection in deep RL algorithms. This simple unified anomaly detection paves the way towards deploying safe RL systems in real-world applications.

A growing body of research runs human subject evaluations to study whether providing users with explanations of machine learning models can help them with practical real-world use cases. However, running user studies is challenging and costly, and consequently each study typically only evaluates a limited number of different settings, e.g., studies often only evaluate a few arbitrarily selected explanation methods. To address these challenges and aid user study design, we introduce Use-Case-Grounded Simulated Evaluations (SimEvals). SimEvals involve training algorithmic agents that take as input the information content (such as model explanations) that would be presented to each participant in a human subject study, to predict answers to the use case of interest. The algorithmic agent's test set accuracy provides a measure of the predictiveness of the information content for the downstream use case. We run a comprehensive evaluation on three real-world use cases (forward simulation, model debugging, and counterfactual reasoning) to demonstrate that Simevals can effectively identify which explanation methods will help humans for each use case. These results provide evidence that SimEvals can be used to efficiently screen an important set of user study design decisions, e.g. selecting which explanations should be presented to the user, before running a potentially costly user study.

In this paper, we study the problem of estimating smooth Generalized Linear Models (GLMs) in the Non-interactive Local Differential Privacy (NLDP) model. Different from its classical setting, our model allows the server to access some additional public but unlabeled data. In the first part of the paper we focus on GLMs. Specifically, we first consider the case where each data record is i.i.d. sampled from a zero-mean multivariate Gaussian distribution. Motivated by the Stein's lemma, we present an $(\epsilon, \delta)$-NLDP algorithm for GLMs. Moreover, the sample complexity of public and private data for the algorithm to achieve an $\ell_2$-norm estimation error of $\alpha$ (with high probability) is ${O}(p \alpha^{-2})$ and $\tilde{O}(p^3\alpha^{-2}\epsilon^{-2})$ respectively, where $p$ is the dimension of the feature vector. This is a significant improvement over the previously known exponential or quasi-polynomial in $\alpha^{-1}$, or exponential in $p$ sample complexities of GLMs with no public data. Then we consider a more general setting where each data record is i.i.d. sampled from some sub-Gaussian distribution with bounded $\ell_1$-norm. Based on a variant of Stein's lemma, we propose an $(\epsilon, \delta)$-NLDP algorithm for GLMs whose sample complexity of public and private data to achieve an $\ell_\infty$-norm estimation error of $\alpha$ is ${O}(p^2\alpha^{-2})$ and $\tilde{O}(p^2\alpha^{-2}\epsilon^{-2})$ respectively, under some mild assumptions and if $\alpha$ is not too small ({\em i.e.,} $\alpha\geq \Omega(\frac{1}{\sqrt{p}})$). In the second part of the paper, we extend our idea to the problem of estimating non-linear regressions and show similar results as in GLMs for both multivariate Gaussian and sub-Gaussian cases. Finally, we demonstrate the effectiveness of our algorithms through experiments on both synthetic and real-world datasets.

Learning exists in the context of data, yet notions of confidence typically focus on model predictions, not label quality. Confident learning (CL) is an alternative approach which focuses instead on label quality by characterizing and identifying label errors in datasets, based on the principles of pruning noisy data, counting with probabilistic thresholds to estimate noise, and ranking examples to train with confidence. Whereas numerous studies have developed these principles independently, here, we combine them, building on the assumption of a class-conditional noise process to directly estimate the joint distribution between noisy (given) labels and uncorrupted (unknown) labels. This results in a generalized CL which is provably consistent and experimentally performant. We present sufficient conditions where CL exactly finds label errors, and show CL performance exceeding seven recent competitive approaches for learning with noisy labels on the CIFAR dataset. Uniquely, the CL framework is not coupled to a specific data modality or model (e.g., we use CL to find several label errors in the presumed error-free MNIST dataset and improve sentiment classification on text data in Amazon Reviews). We also employ CL on ImageNet to quantify ontological class overlap (e.g., estimating 645 "missile" images are mislabeled as their parent class "projectile"), and moderately increase model accuracy (e.g., for ResNet) by cleaning data prior to training. These results are replicable using the open-source cleanlab release.

Variational autoencoders (VAEs) often suffer from posterior collapse, which is a phenomenon in which the learned latent space becomes uninformative. This is often related to the hyperparameter resembling the data variance. It can be shown that an inappropriate choice of this hyperparameter causes the oversmoothness in the linearly approximated case and can be empirically verified for the general cases. Moreover, determining such appropriate choice becomes infeasible if the data variance is non-uniform or conditional. Therefore, we propose VAE extensions with generalized parameterizations of the data variance and incorporate maximum likelihood estimation into the objective function to adaptively regularize the decoder smoothness. The images generated from proposed VAE extensions show improved Fr\'echet inception distance (FID) on MNIST and CelebA datasets.

In the context of structured nonconvex optimization, we estimate the increase in minimum value for a decision that is robust to parameter perturbations as compared to the value of a nominal problem. The estimates rely on detailed expressions for subgradients and local Lipschitz moduli of min-value functions in nonconvex robust optimization and require only the solution of the nominal problem. The theoretical results are illustrated by examples from military operations research involving mixed-integer optimization models. Across 54 cases examined, the median error in estimating the increase in minimum value is 12%. Therefore, the derived expressions for subgradients and local Lipschitz moduli may accurately inform analysts about the possibility of obtaining cost-effective, parameter-robust decisions in nonconvex optimization.

It is well understood that client-master communication can be a primary bottleneck in Federated Learning. In this work, we address this issue with a novel client subsampling scheme, where we restrict the number of clients allowed to communicate their updates back to the master node. In each communication round, all participating clients compute their updates, but only the ones with "important" updates communicate back to the master. We show that importance can be measured using only the norm of the update and give a formula for optimal client participation. This formula minimizes the distance between the full update, where all clients participate, and our limited update, where the number of participating clients is restricted. In addition, we provide a simple algorithm that approximates the optimal formula for client participation, which only requires secure aggregation and thus does not compromise client privacy. We show both theoretically and empirically that for Distributed SGD (DSGD) and Federated Averaging (FedAvg), the performance of our approach can be close to full participation and superior to the baseline where participating clients are sampled uniformly. Moreover, our approach is orthogonal to and compatible with existing methods for reducing communication overhead, such as local methods and communication compression methods.

Metric elicitation is a recent framework for eliciting classification performance metrics that best reflect implicit user preferences based on the task and context. However, available elicitation strategies have been limited to linear (or quasi-linear) functions of predictive rates, which can be practically restrictive for many applications including fairness. This paper develops a strategy for eliciting more flexible multiclass metrics defined by quadratic functions of rates, designed to reflect human preferences better. We show its application in eliciting quadratic violation-based group-fair metrics. Our strategy requires only relative preference feedback, is robust to noise, and achieves near-optimal query complexity. We further extend this strategy to eliciting polynomial metrics -- thus broadening the use cases for metric elicitation.

As societal concerns on data privacy recently increase, we have witnessed data silos among multiple parties in various applications. Federated learning emerges as a new learning paradigm that enables multiple parties to collaboratively train a machine learning model without sharing their raw data. Vertical federated learning, where each party owns different features of the same set of samples and only a single party has the label, is an important and challenging topic in federated learning. Communication costs among different parties have been a major hurdle for practical vertical learning systems. In this paper, we propose a novel communication-efficient vertical federated learning algorithm named FedOnce, which requires only one-shot communication among parties. To improve model accuracy and provide privacy guarantee, FedOnce features unsupervised learning representations in the federated setting and privacy-preserving techniques based on moments accountant. The comprehensive experiments on 10 datasets demonstrate that FedOnce achieves close performance compared to state-of-the-art vertical federated learning algorithms with much lower communication costs. Meanwhile, our privacy-preserving technique significantly outperforms the state-of-the-art approaches under the same privacy budget.

Owing to their versatility, graph structures admit representations of intricate relationships between the separate entities comprising the data. We formalise the notion of connection between two vertex sets in terms of edge and vertex features by introducing graph-walking programs. We give two algorithms for mining of deterministic graph-walking programs that yield programs in the order of increasing length. These programs characterise linear long-distance relationships between the given two vertex sets in the context of the whole graph.

We propose a method for using a large language model, such as GPT-3, to simulate responses of different humans in a given context. We test our method by attempting to reproduce well-established economic, psycholinguistic, and social experiments. The method requires prompt templates for each experiment. Simulations are run by varying the (hypothetical) subject details such as name and analyzing the text generated by the language model. We validate our methodology by using GPT-3, to show that it is possible to simulate responses of different people and that their responses are consistent with prior human studies from the literature. We find that the distributions generated by larger language models better align with prior experimental results, suggesting a trend that future language models may be used for even more faithful simulations of human responses. Our use of a language model for simulation is contrasted with anthropomorphic views of a language model as having its own behavior.

With the recent advances of conversational recommendations, the recommender system is able to actively and dynamically elicit user preference via conversational interactions. To achieve this, the system periodically queries users' preference on attributes and collects their feedback. However, most existing conversational recommender systems only enable the user to provide absolute feedback to the attributes. In practice, the absolute feedback is usually limited, as the users tend to provide biased feedback when expressing the preference. Instead, the user is often more inclined to express comparative preferences, since user preferences are inherently relative. To enable users to provide comparative preferences during conversational interactions, we propose a novel comparison-based conversational recommender system. The relative feedback, though more practical, is not easy to be incorporated since its feedback scale is always mismatched with users' absolute preferences. With effectively collecting and understanding the relative feedback from an interactive manner, we further propose a new bandit algorithm, which we call RelativeConUCB. The experiments on both synthetic and real-world datasets validate the advantage of our proposed method, compared to the existing bandit algorithms in the conversational recommender systems.

Future wireless networks (5G and beyond) are the vision of forthcoming cellular systems, connecting billions of devices and people together. In the last decades, cellular networks have been dramatically growth with advanced telecommunication technologies for high-speed data transmission, high cell capacity, and low latency. The main goal of those technologies is to support a wide range of new applications, such as virtual reality, metaverse, telehealth, online education, autonomous and flying vehicles, smart cities, smart grids, advanced manufacturing, and many more. The key motivation of NextG networks is to meet the high demand for those applications by improving and optimizing network functions. Artificial Intelligence (AI) has a high potential to achieve these requirements by being integrated in applications throughout all layers of the network. However, the security concerns on network functions of NextG using AI-based models, i.e., model poising, have not been investigated deeply. Therefore, it needs to design efficient mitigation techniques and secure solutions for NextG networks using AI-based methods. This paper proposes a comprehensive vulnerability analysis of deep learning (DL)-based channel estimation models trained with the dataset obtained from MATLAB's 5G toolbox for adversarial attacks and defensive distillation-based mitigation methods. The adversarial attacks produce faulty results by manipulating trained DL-based models for channel estimation in NextG networks, while making models more robust against any attacks through mitigation methods. This paper also presents the performance of the proposed defensive distillation mitigation method for each adversarial attack against the channel estimation model. The results indicated that the proposed mitigation method can defend the DL-based channel estimation models against adversarial attacks in NextG networks.

Federated learning offers a framework of training a machine learning model in a distributed fashion while preserving privacy of the participants. As the server cannot govern the clients' actions, nefarious clients may attack the global model by sending malicious local gradients. In the meantime, there could also be unreliable clients who are benign but each has a portion of low-quality training data (e.g., blur or low-resolution images), thus may appearing similar as malicious clients. Therefore, a defense mechanism will need to perform a three-fold differentiation which is much more challenging than the conventional (two-fold) case. This paper introduces MUD-HoG, a novel defense algorithm that addresses this challenge in federated learning using long-short history of gradients, and treats the detected malicious and unreliable clients differently. Not only this, but we can also distinguish between targeted and untargeted attacks among malicious clients, unlike most prior works which only consider one type of the attacks. Specifically, we take into account sign-flipping, additive-noise, label-flipping, and multi-label-flipping attacks, under a non-IID setting. We evaluate MUD-HoG with six state-of-the-art methods on two datasets. The results show that MUD-HoG outperforms all of them in terms of accuracy as well as precision and recall, in the presence of a mixture of multiple (four) types of attackers as well as unreliable clients. Moreover, unlike most prior works which can only tolerate a low population of harmful users, MUD-HoG can work with and successfully detect a wide range of malicious and unreliable clients - up to 47.5% and 10%, respectively, of the total population. Our code is open-sourced at https://github.com/LabSAINT/MUD-HoG_Federated_Learning.

We find experimentally that when artificial neural networks are connected in parallel and trained together, they display the following properties. (i) When the parallel-connected neural network (PNN) is optimized, each sub-network in the connection is not optimized. (ii) The contribution of an inferior sub-network to the whole PNN can be on par with that of the superior sub-network. (iii) The PNN can output the correct result even when all sub-networks give incorrect results. These properties are unlikely for natural biological sense organs. Therefore, they could serve as a simple yet effective criterion for measuring the bionic level of neural networks. With this criterion, we further show that when serving as the activation function, the ReLU function can make an artificial neural network more bionic than the sigmoid and Tanh functions do.

The accurate protein-ligand binding affinity prediction is essential in drug design and many other molecular recognition problems. Despite many advances in affinity prediction based on machine learning techniques, they are still limited since the protein-ligand binding is determined by the dynamics of atoms and molecules. To this end, we curated an MD dataset containing 3,218 dynamic protein-ligand complexes and further developed Dynaformer, a graph-based deep learning framework. Dynaformer can fully capture the dynamic binding rules by considering various geometric characteristics of the interaction. Our method shows superior performance over the methods hitherto reported. Moreover, we performed virtual screening on heat shock protein 90 (HSP90) by integrating our model with structure-based docking. We benchmarked our performance against other baselines, demonstrating that our method can identify the molecule with the highest experimental potency. We anticipate that large-scale MD dataset and machine learning models will form a new synergy, providing a new route towards accelerated drug discovery and optimization.

Transformers are powerful text representation learners, useful for all kinds of clinical decision support tasks. Although they outperform baselines on readmission prediction, they are not infallible. Here, we look into one such failure case, and report patterns that lead to inferior predictive performance.

This paper presents the findings of an exploratory study on the continuously generating Big Data on Twitter related to the sharing of information, news, views, opinions, ideas, feedback, and experiences about the COVID-19 pandemic, with a specific focus on the Omicron variant, which is the globally dominant variant of SARS-CoV-2 at this time. A total of 12028 tweets about the Omicron variant were studied, and the specific characteristics of tweets that were analyzed include - sentiment, language, source, type, and embedded URLs. The findings of this study are manifold. First, from sentiment analysis, it was observed that 50.5% of tweets had a neutral emotion. The other emotions - bad, good, terrible, and great were found in 15.6%, 14.0%, 12.5%, and 7.5% of the tweets, respectively. Second, the findings of language interpretation showed that 65.9% of the tweets were posted in English. It was followed by Spanish, French, Italian, and other languages. Third, the findings from source tracking showed that Twitter for Android was associated with 35.2% of tweets. It was followed by Twitter Web App, Twitter for iPhone, Twitter for iPad, and other sources. Fourth, studying the type of tweets revealed that retweets accounted for 60.8% of the tweets, it was followed by original tweets and replies that accounted for 19.8% and 19.4% of the tweets, respectively. Fifth, in terms of embedded URL analysis, the most common domain embedded in the tweets was found to be twitter.com, which was followed by biorxiv.org, nature.com, and other domains. Finally, to support similar research in this field, we have developed a Twitter dataset that comprises more than 500,000 tweets about the SARS-CoV-2 omicron variant since the first detected case of this variant on November 24, 2021.

It has become increasingly common nowadays to collect observations of feature and response pairs from different environments. As a consequence, one has to apply learned predictors to data with a different distribution due to distribution shifts. One principled approach is to adopt the structural causal models to describe training and test models, following the invariance principle which says that the conditional distribution of the response given its predictors remains the same across environments. However, this principle might be violated in practical settings when the response is intervened. A natural question is whether it is still possible to identify other forms of invariance to facilitate prediction in unseen environments. To shed light on this challenging scenario, we introduce invariant matching property (IMP) which is an explicit relation to capture interventions through an additional feature. This leads to an alternative form of invariance that enables a unified treatment of general interventions on the response. We analyze the asymptotic generalization errors of our method under both the discrete and continuous environment settings, where the continuous case is handled by relating it to the semiparametric varying coefficient models. We present algorithms that show competitive performance compared to existing methods over various experimental settings.

In this paper, we consider the problem of finding a meta-learning online control algorithm that can learn across the tasks when faced with a sequence of $N$ (similar) control tasks. Each task involves controlling a linear dynamical system for a finite horizon of $T$ time steps. The cost function and system noise at each time step are adversarial and unknown to the controller before taking the control action. Meta-learning is a broad approach where the goal is to prescribe an online policy for any new unseen task exploiting the information from other tasks and the similarity between the tasks. We propose a meta-learning online control algorithm for the control setting and characterize its performance by \textit{meta-regret}, the average cumulative regret across the tasks. We show that when the number of tasks are sufficiently large, our proposed approach achieves a meta-regret that is smaller by a factor $D/D^{*}$ compared to an independent-learning online control algorithm which does not perform learning across the tasks, where $D$ is a problem constant and $D^{*}$ is a scalar that decreases with increase in the similarity between tasks. Thus, when the sequence of tasks are similar the regret of the proposed meta-learning online control is significantly lower than that of the naive approaches without meta-learning. We also present experiment results to demonstrate the superior performance achieved by our meta-learning algorithm.

We introduce a probabilistic model with implicit norm regularization for learning nonnegative matrix factorization (NMF) that is commonly used for predicting missing values and finding hidden patterns in the data, in which the matrix factors are latent variables associated with each data dimension. The nonnegativity constraint for the latent factors is handled by choosing priors with support on the nonnegative subspace, e.g., exponential density or distribution based on exponential function. Bayesian inference procedure based on Gibbs sampling is employed. We evaluate the model on several real-world datasets including Genomics of Drug Sensitivity in Cancer (GDSC $IC_{50}$) and Gene body methylation with different sizes and dimensions, and show that the proposed Bayesian NMF GL$_2^2$ and GL$_\infty$ models lead to robust predictions for different data values and avoid overfitting compared with competitive Bayesian NMF approaches.

Privacy and security challenges in Machine Learning (ML) have become a critical topic to address, along with ML's pervasive development and the recent demonstration of large attack surfaces. As a mature system-oriented approach, confidential computing has been increasingly utilized in both academia and industry to improve privacy and security in various ML scenarios. In this paper, we systematize the findings on confidential computing-assisted ML security and privacy techniques for providing i) confidentiality guarantees and ii) integrity assurances. We further identify key challenges and provide dedicated analyses of the limitations in existing Trusted Execution Environment (TEE) systems for ML use cases. We discuss prospective works, including grounded privacy definitions, partitioned ML executions, dedicated TEE designs for ML, TEE-aware ML, and ML full pipeline guarantee. These potential solutions can help achieve a much strong TEE-enabled ML for privacy guarantees without introducing computation and system costs.

In this paper, we propose generalized attention mechanism (GAM) by first suggesting a new interpretation for self-attention mechanism of Vaswani et al. . Following the interpretation, we provide description for different variants of attention mechanism which together form GAM. Further, we propose a new relative position representation within the framework of GAM. This representation can be easily utilized for cases in which elements next to each other in input sequence can be at random locations in actual dataset/corpus.

The quality of Artificial Intelligence (AI) algorithms is of significant importance for confidently adopting algorithms in various applications such as cybersecurity, healthcare, and autonomous driving. This work presents a principled framework of using a design-of-experimental approach to systematically evaluate the quality of AI algorithms, named as Do-AIQ. Specifically, we focus on investigating the quality of the AI mislabel data algorithm against data poisoning. The performance of AI algorithms is affected by hyperparameters in the algorithm and data quality, particularly, data mislabeling, class imbalance, and data types. To evaluate the quality of the AI algorithms and obtain a trustworthy assessment on the quality of the algorithms, we establish a design-of-experiment framework to construct an efficient space-filling design in a high-dimensional constraint space and develop an effective surrogate model using additive Gaussian process to enable the emulation of the quality of AI algorithms. Both theoretical and numerical studies are conducted to justify the merits of the proposed framework. The proposed framework can set an exemplar for AI algorithm to enhance the AI assurance of robustness, reproducibility, and transparency.

Rapid development in deep learning model construction has prompted an increased need for appropriate training data. The popularity of large datasets - sometimes known as "big data" - has diverted attention from assessing their quality. Training on large datasets often requires excessive system resources and an infeasible amount of time. Furthermore, the supervised machine learning process has yet to be fully automated: for supervised learning, large datasets require more time for manually labeling samples. We propose a method of curating smaller datasets with comparable out-of-distribution model accuracy after an initial training session using an appropriate distribution of samples classified by how difficult it is for a model to learn from them.

Byzantine-robust Federated Learning (FL) aims to counter malicious clients and to train an accurate global model while maintaining an extremely low attack success rate. Most of the existing systems, however, are only robust in honest/semi-honest majority settings. FLTrust (NDSS '21) extends the context to the malicious majority for clients but with a strong restriction that the server should be provided with an auxiliary dataset before training in order to filter malicious inputs. Private FLAME/FLGUARD (USENIX '22) gives a solution to guarantee both robustness and updates confidentiality in the semi-honest majority context. It is so far impossible to balance the trade-off among malicious context, robustness, and updates confidentiality. To tackle this problem, we propose a novel Byzantine-robust and privacy-preserving FL system, called BRIEF, to capture malicious minority and majority for server and client sides. Specifically, based on the DBSCAN algorithm, we design a new method for clustering via pairwise adjusted cosine similarity to boost the accuracy of the clustering results. To thwart attacks of malicious majority, we develop an algorithm called Model Segmentation, where local updates in the same cluster are aggregated together, and the aggregations are sent back to corresponding clients correctly. We also leverage multiple cryptographic tools to conduct clustering tasks without sacrificing training correctness and updates confidentiality. We present detailed security proof and empirical evaluation along with convergence analysis for BRIEF. The experimental results demonstrate that the testing accuracy of BRIEF is practically close to the FL baseline (0.8% gap on average). At the same time, the attack success rate is around 0%-5%. We further optimize our design so that the communication overhead and runtime can be decreased by {67%-89.17% and 66.05%-68.75%}, respectively.

Generative self-supervised learning (SSL), especially masked autoencoders, has become one of the most exciting learning paradigms and has shown great potential in handling graph data. However, real-world graphs are always heterogeneous, which poses three critical challenges that existing methods ignore: 1) how to capture complex graph structure? 2) how to incorporate various node attributes? and 3) how to encode different node positions? In light of this, we study the problem of generative SSL on heterogeneous graphs and propose HGMAE, a novel heterogeneous graph masked autoencoder model to address these challenges. HGMAE captures comprehensive graph information via two innovative masking techniques and three unique training strategies. In particular, we first develop metapath masking and adaptive attribute masking with dynamic mask rate to enable effective and stable learning on heterogeneous graphs. We then design several training strategies including metapath-based edge reconstruction to adopt complex structural information, target attribute restoration to incorporate various node attributes, and positional feature prediction to encode node positional information. Extensive experiments demonstrate that HGMAE outperforms both contrastive and generative state-of-the-art baselines on several tasks across multiple datasets.

Model explanations provide transparency into a trained machine learning model's blackbox behavior to a model builder. They indicate the influence of different input attributes to its corresponding model prediction. The dependency of explanations on input raises privacy concerns for sensitive user data. However, current literature has limited discussion on privacy risks of model explanations. We focus on the specific privacy risk of attribute inference attack wherein an adversary infers sensitive attributes of an input (e.g., race and sex) given its model explanations. We design the first attribute inference attack against model explanations in two threat models where model builder either (a) includes the sensitive attributes in training data and input or (b) censors the sensitive attributes by not including them in the training data and input. We evaluate our proposed attack on four benchmark datasets and four state-of-the-art algorithms. We show that an adversary can successfully infer the value of sensitive attributes from explanations in both the threat models accurately. Moreover, the attack is successful even by exploiting only the explanations corresponding to sensitive attributes. These suggest that our attack is effective against explanations and poses a practical threat to data privacy. On combining the model predictions (an attack surface exploited by prior attacks) with explanations, we note that the attack success does not improve. Additionally, the attack success on exploiting model explanations is better compared to exploiting only model predictions. These suggest that model explanations are a strong attack surface to exploit for an adversary.

Marketing campaigns are a set of strategic activities that can promote a business's goal. The effect prediction for marketing campaigns in a real industrial scenario is very complex and challenging due to the fact that prior knowledge is often learned from observation data, without any intervention for the marketing campaign. Furthermore, each subject is always under the interference of several marketing campaigns simultaneously. Therefore, we cannot easily parse and evaluate the effect of a single marketing campaign. To the best of our knowledge, there are currently no effective methodologies to solve such a problem, i.e., modeling an individual-level prediction task based on a hierarchical structure with multiple intertwined events. In this paper, we provide an in-depth analysis of the underlying parse tree-like structure involved in the effect prediction task and we further establish a Hierarchical Capsule Prediction Network (HapNet) for predicting the effects of marketing campaigns. Extensive results based on both the synthetic data and real data demonstrate the superiority of our model over the state-of-the-art methods and show remarkable practicability in real industrial applications.

Deep long-tailed learning aims to train useful deep networks on practical, real-world imbalanced distributions, wherein most labels of the tail classes are associated with a few samples. There has been a large body of work to train discriminative models for visual recognition on long-tailed distribution. In contrast, we aim to train conditional Generative Adversarial Networks, a class of image generation models on long-tailed distributions. We find that similar to recognition, state-of-the-art methods for image generation also suffer from performance degradation on tail classes. The performance degradation is mainly due to class-specific mode collapse for tail classes, which we observe to be correlated with the spectral explosion of the conditioning parameter matrix. We propose a novel group Spectral Regularizer (gSR) that prevents the spectral explosion alleviating mode collapse, which results in diverse and plausible image generation even for tail classes. We find that gSR effectively combines with existing augmentation and regularization techniques, leading to state-of-the-art image generation performance on long-tailed data. Extensive experiments demonstrate the efficacy of our regularizer on long-tailed datasets with different degrees of imbalance.

Cross-sectional strategies are a classical and popular trading style, with recent high performing variants incorporating sophisticated neural architectures. While these strategies have been applied successfully to data-rich settings involving mature assets with long histories, deploying them on instruments with limited samples generally produces over-fitted models with degraded performance. In this paper, we introduce Fused Encoder Networks -- a hybrid parameter-sharing transfer ranking model. The model fuses information extracted using an encoder-attention module operated on a source dataset with a similar but separate module focused on a smaller target dataset of interest. In addition to mitigating the issue of target data scarcity, the model's self-attention mechanism enables interactions among instruments to be accounted for, not just at the loss level during model training, but also at inference time. Focusing on momentum applied to the top ten cryptocurrencies by market capitalisation as a demonstrative use-case, the Fused Encoder Networks outperforms the reference benchmarks on most performance measures, delivering a three-fold boost in the Sharpe ratio over classical momentum as well as an improvement of approximately 50% against the best benchmark model without transaction costs. It continues outperforming baselines even after accounting for the high transaction costs associated with trading cryptocurrencies.

We propose and analyze several stochastic gradient algorithms for finding stationary points or local minimum in nonconvex, possibly with nonsmooth regularizer, finite-sum and online optimization problems. First, we propose a simple proximal stochastic gradient algorithm based on variance reduction called ProxSVRG+. We provide a clean and tight analysis of ProxSVRG+, which shows that it outperforms the deterministic proximal gradient descent (ProxGD) for a wide range of minibatch sizes, hence solves an open problem proposed in Reddi et al. (2016b). Also, ProxSVRG+ uses much less proximal oracle calls than ProxSVRG (Reddi et al., 2016b) and extends to the online setting by avoiding full gradient computations. Then, we further propose an optimal algorithm, called SSRGD, based on SARAH (Nguyen et al., 2017) and show that SSRGD further improves the gradient complexity of ProxSVRG+ and achieves the optimal upper bound, matching the known lower bound of (Fang et al., 2018; Li et al., 2021). Moreover, we show that both ProxSVRG+ and SSRGD enjoy automatic adaptation with local structure of the objective function such as the Polyak-\L{}ojasiewicz (PL) condition for nonconvex functions in the finite-sum case, i.e., we prove that both of them can automatically switch to faster global linear convergence without any restart performed in prior work ProxSVRG (Reddi et al., 2016b). Finally, we focus on the more challenging problem of finding an $(\epsilon, \delta)$-local minimum instead of just finding an $\epsilon$-approximate (first-order) stationary point (which may be some bad unstable saddle points). We show that SSRGD can find an $(\epsilon, \delta)$-local minimum by simply adding some random perturbations. Our algorithm is almost as simple as its counterpart for finding stationary points, and achieves similar optimal rates.

Bandit algorithms are widely used in sequential decision problems to maximize the cumulative reward. One potential application is mobile health, where the goal is to promote the user's health through personalized interventions based on user specific information acquired through wearable devices. Important considerations include the type of, and frequency with which data is collected (e.g. GPS, or continuous monitoring), as such factors can severely impact app performance and users' adherence. In order to balance the need to collect data that is useful with the constraint of impacting app performance, one needs to be able to assess the usefulness of variables. Bandit feedback data are sequentially correlated, so traditional testing procedures developed for independent data cannot apply. Recently, a statistical testing procedure was developed for the actor-critic bandit algorithm. An actor-critic algorithm maintains two separate models, one for the actor, the action selection policy, and the other for the critic, the reward model. The performance of the algorithm as well as the validity of the test are guaranteed only when the critic model is correctly specified. However, misspecification is frequent in practice due to incorrect functional form or missing covariates. In this work, we propose a modified actor-critic algorithm which is robust to critic misspecification and derive a novel testing procedure for the actor parameters in this case.

Airlines are critical today for carrying people and commodities on time. Any delay in the schedule of these planes can potentially disrupt the business and trade of thousands of employees at any given time. Therefore, precise flight delay prediction is beneficial for the aviation industry and passenger travel. Recent research has focused on using artificial intelligence algorithms to predict the possibility of flight delays. Earlier prediction algorithms were designed for a specific air route or airfield. Many present flight delay prediction algorithms rely on tiny samples and are challenging to understand, allowing almost no room for machine learning implementation. This research study develops a flight delay prediction system by analyzing data from domestic flights inside the United States of America. The proposed models learn about the factors that cause flight delays and cancellations and the link between departure and arrival delays.

Recent works have demonstrated a double descent phenomenon in over-parameterized learning: as the number of model parameters increases, the excess risk has a $\mathsf{U}$-shape at beginning, then decreases again when the model is highly over-parameterized. Although this phenomenon has been investigated by recent works under different settings such as linear models, random feature models and kernel methods, it has not been fully understood in theory. In this paper, we consider a double random feature model (DRFM) consisting of two types of random features, and study the excess risk achieved by the DRFM in ridge regression. We calculate the precise limit of the excess risk under the high dimensional framework where the training sample size, the dimension of data, and the dimension of random features tend to infinity proportionally. Based on the calculation, we demonstrate that the risk curves of DRFMs can exhibit triple descent. We then provide an explanation of the triple descent phenomenon, and discuss how the ratio between random feature dimensions, the regularization parameter and the signal-to-noise ratio control the shape of the risk curves of DRFMs. At last, we extend our study to the multiple random feature model (MRFM), and show that MRFMs with $K$ types of random features may exhibit $(K+1)$-fold descent. Our analysis points out that risk curves with a specific number of descent generally exist in random feature based regression. Another interesting finding is that our result can recover the risk peak locations reported in the literature when learning neural networks are in the "neural tangent kernel" regime.

Time series models often deal with extreme events and anomalies, both prevalent in real-world datasets. Such models often need to provide careful probabilistic forecasting, which is vital in risk management for extreme events such as hurricanes and pandemics. However, it is challenging to automatically detect and learn to use extreme events and anomalies for large-scale datasets, which often require manual effort. Hence, we propose an anomaly-aware forecast framework that leverages the previously seen effects of anomalies to improve its prediction accuracy during and after the presence of extreme events. Specifically, the framework automatically extracts anomalies and incorporates them through an attention mechanism to increase its accuracy for future extreme events. Moreover, the framework employs a dynamic uncertainty optimization algorithm that reduces the uncertainty of forecasts in an online manner. The proposed framework demonstrated consistent superior accuracy with less uncertainty on three datasets with different varieties of anomalies over the current prediction models.

Recently introduced self-supervised methods for image representation learning provide on par or superior results to their fully supervised competitors, yet the corresponding efforts to explain the self-supervised approaches lag behind. Motivated by this observation, we introduce a novel visual probing framework for explaining the self-supervised models by leveraging probing tasks employed previously in natural language processing. The probing tasks require knowledge about semantic relationships between image parts. Hence, we propose a systematic approach to obtain analogs of natural language in vision, such as visual words, context, and taxonomy. Our proposal is grounded in Marr's computational theory of vision and concerns features like textures, shapes, and lines. We show the effectiveness and applicability of those analogs in the context of explaining self-supervised representations. Our key findings emphasize that relations between language and vision can serve as an effective yet intuitive tool for discovering how machine learning models work, independently of data modality. Our work opens a plethora of research pathways towards more explainable and transparent AI.

Backdoor attacks allow an attacker to embed functionality jeopardizing proper behavior of any algorithm, machine learning or not. This hidden functionality can remain inactive for normal use of the algorithm until activated by the attacker. Given how stealthy backdoor attacks are, consequences of these backdoors could be disastrous if such networks were to be deployed for applications as critical as border or access control. In this paper, we propose a novel backdoored network detection method based on the principle of anomaly detection, involving access to the clean part of the training data and the trained network. We highlight its promising potential when considering various triggers, locations and identity pairs, without the need to make any assumptions on the nature of the backdoor and its setup. We test our method on a novel dataset of backdoored networks and report detectability results with perfect scores.

We propose a simple scheme for merging two neural networks trained with different starting initialization into a single one with the same size as the original ones. We do this by carefully selecting channels from each input network. Our procedure might be used as a finalization step after one tries multiple starting seeds to avoid an unlucky one. We also show that training two networks and merging them leads to better performance than training a single network for an extended period of time. Availability: https://github.com/fmfi-compbio/neural-network-merging

Deep neural networks (DNNs) are vulnerable to adversarial noises. By adding adversarial noises to training samples, adversarial training can improve the model's robustness against adversarial noises. However, adversarial training samples with excessive noises can harm standard accuracy, which may be unacceptable for many medical image analysis applications. This issue has been termed the trade-off between standard accuracy and adversarial robustness. In this paper, we hypothesize that this issue may be alleviated if the adversarial samples for training are placed right on the decision boundaries. Based on this hypothesis, we design an adaptive adversarial training method, named IMA. For each individual training sample, IMA makes a sample-wise estimation of the upper bound of the adversarial perturbation. In the training process, each of the sample-wise adversarial perturbations is gradually increased to match the margin. Once an equilibrium state is reached, the adversarial perturbations will stop increasing. IMA is evaluated on publicly available datasets under two popular adversarial attacks, PGD and IFGSM. The results show that: (1) IMA significantly improves adversarial robustness of DNN classifiers, which achieves state-of-the-art performance; (2) IMA has a minimal reduction in clean accuracy among all competing defense methods; (3) IMA can be applied to pretrained models to reduce time cost; (4) IMA can be applied to the state-of-the-art medical image segmentation networks, with outstanding performance. We hope our work may help to lift the trade-off between adversarial robustness and clean accuracy and facilitate the development of robust applications in the medical field. The source code will be released when this paper is published.

Adaptive Moment Estimation (Adam) optimizer is widely used in deep learning tasks because of its fast convergence properties. However, the convergence of Adam is still not well understood. In particular, the existing analysis of Adam cannot clearly demonstrate the advantage of Adam over SGD. We attribute this theoretical embarrassment to $L$-smooth condition (i.e., assuming the gradient is globally Lipschitz continuous with constant $L$) adopted by literature, which has been pointed out to often fail in practical neural networks. To tackle this embarrassment, we analyze the convergence of Adam under a relaxed condition called $(L_0,L_1)$ smoothness condition, which allows the gradient Lipschitz constant to change with the local gradient norm. $(L_0,L_1)$ is strictly weaker than $L$-smooth condition and it has been empirically verified to hold for practical deep neural networks. Under the $(L_0,L_1)$ smoothness condition, we establish the convergence for Adam with practical hyperparameters. Specifically, we argue that Adam can adapt to the local smoothness condition, justifying the \emph{adaptivity} of Adam. In contrast, SGD can be arbitrarily slow under this condition. Our result might shed light on the benefit of adaptive gradient methods over non-adaptive ones.

A population-level analysis is proposed to address data sparsity when building predictive models for engineering infrastructure. Utilising an interpretable hierarchical Bayesian approach and operational fleet data, domain expertise is naturally encoded (and appropriately shared) between different sub-groups, representing (i) use-type, (ii) component, or (iii) operating condition. Specifically, domain expertise is exploited to constrain the model via assumptions (and prior distributions) allowing the methodology to automatically share information between similar assets, improving the survival analysis of a truck fleet and power prediction in a wind farm. In each asset management example, a set of correlated functions is learnt over the fleet, in a combined inference, to learn a population model. Parameter estimation is improved when sub-fleets are allowed to share correlated information at different levels in the hierarchy. In turn, groups with incomplete data automatically borrow statistical strength from those that are data-rich. The statistical correlations enable knowledge transfer via Bayesian transfer learning, and the correlations can be inspected to inform which assets share information for which effect (i.e. parameter). Successes in both case studies demonstrate the wide applicability in practical infrastructure monitoring, since the approach is naturally adapted between interpretable fleet models of different in-situ examples.

The data revolution has generated a huge demand for data-driven solutions. This demand propels a growing number of easy-to-use tools and training for aspiring data scientists that enable the rapid building of predictive models. Today, weapons of math destruction can be easily built and deployed without detailed planning and validation. This rapidly extends the list of AI failures, i.e. deployments that lead to financial losses or even violate democratic values such as equality, freedom and justice. The lack of planning, rules and standards around the model development leads to the ,,anarchisation of AI". This problem is reported under different names such as validation debt, reproducibility crisis, and lack of explainability. Post-mortem analysis of AI failures often reveals mistakes made in the early phase of model development or data acquisition. Thus, instead of curing the consequences of deploying harmful models, we shall prevent them as early as possible by putting more attention to the initial planning stage. In this paper, we propose a quick and simple framework to support planning of AI solutions. The POCA framework is based on four pillars: Performance, Opaqueness, Consequences, and Assumptions. It helps to set the expectations and plan the constraints for the AI solution before any model is built and any data is collected. With the help of the POCA method, preliminary requirements can be defined for the model-building process, so that costly model misspecification errors can be identified as soon as possible or even avoided. AI researchers, product owners and business analysts can use this framework in the initial stages of building AI solutions.

Artificial intelligence has deeply revolutionized the field of medicinal chemistry with many impressive applications, but the success of these applications requires a massive amount of training samples with high-quality annotations, which seriously limits the wide usage of data-driven methods. In this paper, we focus on the reaction yield prediction problem, which assists chemists in selecting high-yield reactions in a new chemical space only with a few experimental trials. To attack this challenge, we first put forth MetaRF, an attention-based differentiable random forest model specially designed for the few-shot yield prediction, where the attention weight of a random forest is automatically optimized by the meta-learning framework and can be quickly adapted to predict the performance of new reagents while given a few additional samples. To improve the few-shot learning performance, we further introduce a dimension-reduction based sampling method to determine valuable samples to be experimentally tested and then learned. Our methodology is evaluated on three different datasets and acquires satisfactory performance on few-shot prediction. In high-throughput experimentation (HTE) datasets, the average yield of our methodology's top 10 high-yield reactions is relatively close to the results of ideal yield selection.

Molecular machine learning (ML) has proven important for tackling various molecular problems, including the prediction of protein-drug interactions and blood brain-barrier permeability. Since relatively recently, so-called graph neural networks (GNNs) have been implemented for molecular ML, showing comparable or superior performance to descriptor-based approaches. Although various tools and packages exist to apply GNNs for molecular ML, a new GNN package, named MolGraph (https://github.com/akensert/molgraph), was developed in this work with the motivation to create GNNs highly compatible with the TensorFlow and Keras application programming interface (API). As MolGraph focuses specifically and exclusively on molecular ML, a chemistry module was implemented to accommodate the generation of molecular graphs $\unicode{x2014}$ which could then be inputted to the GNNs for molecular ML. To validate the GNNs, they were benchmarked against the datasets of MoleculeNet, as well as three chromatographic retention time datasets. The results on these benchmarks show that the GNNs performed as expected. Additionally, the GNNs proved useful for molecular identification and improved interpretability of chromatographic retention data.

Deep neural network (DNN) usually learns the target function from low to high frequency, which is called frequency principle or spectral bias. This frequency principle sheds light on a high-frequency curse of DNNs -- difficult to learn high-frequency information. Inspired by the frequency principle, a series of works are devoted to develop algorithms for overcoming the high-frequency curse. A natural question arises: what is the upper limit of the decaying rate w.r.t. frequency when one trains a DNN? In this work, our theory, confirmed by numerical experiments, suggests that there is a critical decaying rate w.r.t. frequency in DNN training. Below the upper limit of the decaying rate, the DNN interpolates the training data by a function with a certain regularity. However, above the upper limit, the DNN interpolates the training data by a trivial function, i.e., a function is only non-zero at training data points. Our results indicate a better way to overcome the high-frequency curse is to design a proper pre-condition approach to shift high-frequency information to low-frequency one, which coincides with several previous developed algorithms for fast learning high-frequency information. More importantly, this work rigorously proves that the high-frequency curse is an intrinsic difficulty of DNNs.

The vulnerabilities of deep neural networks against adversarial examples have become a significant concern for deploying these models in sensitive domains. Devising a definitive defense against such attacks is proven to be challenging, and the methods relying on detecting adversarial samples are only valid when the attacker is oblivious to the detection mechanism. In this paper we propose a principled adversarial example detection method that can withstand norm-constrained white-box attacks. Inspired by one-versus-the-rest classification, in a K class classification problem, we train K binary classifiers where the i-th binary classifier is used to distinguish between clean data of class i and adversarially perturbed samples of other classes. At test time, we first use a trained classifier to get the predicted label (say k) of the input, and then use the k-th binary classifier to determine whether the input is a clean sample (of class k) or an adversarially perturbed example (of other classes). We further devise a generative approach to detecting/classifying adversarial examples by interpreting each binary classifier as an unnormalized density model of the class-conditional data. We provide comprehensive evaluation of the above adversarial example detection/classification methods, and demonstrate their competitive performances and compelling properties.

Natural language processing (NLP) is an area of artificial intelligence that applies information technologies to process the human language, understand it to a certain degree, and use it in various applications. This area has rapidly developed in the last few years and now employs modern variants of deep neural networks to extract relevant patterns from large text corpora. The main objective of this work is to survey the recent use of NLP in the field of pharmacology. As our work shows, NLP is a highly relevant information extraction and processing approach for pharmacology. It has been used extensively, from intelligent searches through thousands of medical documents to finding traces of adversarial drug interactions in social media. We split our coverage into five categories to survey modern NLP methodology, commonly addressed tasks, relevant textual data, knowledge bases, and useful programming libraries. We split each of the five categories into appropriate subcategories, describe their main properties and ideas, and summarize them in a tabular form. The resulting survey presents a comprehensive overview of the area, useful to practitioners and interested observers.

This note serves three purposes: (i) we provide a self-contained exposition of the fact that conjunctive queries are not efficiently learnable in the Probably-Approximately-Correct (PAC) model, paying clear attention to the complicating fact that this concept class lacks the polynomial-size fitting property, a property that is tacitly assumed in much of the computational learning theory literature; (ii) we establish a strong negative PAC learnability result that applies to many restricted classes of conjunctive queries (CQs), including acyclic CQs for a wide range of notions of "acyclicity"; (iii) we show that CQs are efficiently PAC learnable with membership queries.

Existing Graph Neural Networks (GNNs) usually assume a balanced situation where both the class distribution and the node degree distribution are balanced. However, in real-world situations, we often encounter cases where a few classes (i.e., head class) dominate other classes (i.e., tail class) as well as in the node degree perspective, and thus naively applying existing GNNs eventually fall short of generalizing to the tail cases. Although recent studies proposed methods to handle long-tail situations on graphs, they only focus on either the class long-tailedness or the degree long-tailedness. In this paper, we propose a novel framework for training GNNs, called Long-Tail Experts for Graphs (LTE4G), which jointly considers the class long-tailedness, and the degree long-tailedness for node classification. The core idea is to assign an expert GNN model to each subset of nodes that are split in a balanced manner considering both the class and degree long-tailedness. After having trained an expert for each balanced subset, we adopt knowledge distillation to obtain two class-wise students, i.e., Head class student and Tail class student, each of which is responsible for classifying nodes in the head classes and tail classes, respectively. We demonstrate that LTE4G outperforms a wide range of state-of-the-art methods in node classification evaluated on both manual and natural imbalanced graphs. The source code of LTE4G can be found at https://github.com/SukwonYun/LTE4G.

Probabilistic modeling of multidimensional spatiotemporal data is critical to many real-world applications. However, real-world spatiotemporal data often exhibits complex dependencies that are nonstationary, i.e., correlation structure varies with location/time, and nonseparable, i.e., dependencies exist between space and time. Developing effective and computationally efficient statistical models to accommodate nonstationary/nonseparable processes containing both long-range and short-scale variations becomes a challenging task, especially for large-scale datasets with various corruption/missing structures. In this paper, we propose a new statistical framework -- Bayesian Complementary Kernelized Learning (BCKL) -- to achieve scalable probabilistic modeling for multidimensional spatiotemporal data. To effectively describe complex dependencies, BCKL integrates kernelized low-rank factorization with short-range spatiotemporal Gaussian processes (GP), in which the two components complement each other. Specifically, we use a multi-linear low-rank factorization component to capture the global/long-range correlations in the data and introduce an additive short-scale GP based on compactly supported kernel functions to characterize the remaining local variabilities. We develop an efficient Markov chain Monte Carlo (MCMC) algorithm for model inference and evaluate the proposed BCKL framework on both synthetic and real-world spatiotemporal datasets. Our results confirm the superior performance of BCKL in providing accurate posterior mean and high-quality uncertainty estimates.

Center-based clustering (e.g., $k$-means, $k$-medians) and clustering using linear subspaces are two most popular techniques to partition real-world data into smaller clusters. However, when the data consists of sensitive demographic groups, significantly different clustering cost per point for different sensitive groups can lead to fairness-related harms (e.g., different quality-of-service). The goal of socially fair clustering is to minimize the maximum cost of clustering per point over all groups. In this work, we propose a unified framework to solve socially fair center-based clustering and linear subspace clustering, and give practical, efficient approximation algorithms for these problems. We do extensive experiments to show that on multiple benchmark datasets our algorithms either closely match or outperform state-of-the-art baselines.

Machine learning (ML) algorithms are showing a growing trend in helping the scientific communities across different disciplines and institutions to address large and diverse data problems. However, many available ML tools are programmatically demanding and computationally costly. The MLExchange project aims to build a collaborative platform equipped with enabling tools that allow scientists and facility users who do not have a profound ML background to use ML and computational resources in scientific discovery. At the high level, we are targeting a full user experience where managing and exchanging ML algorithms, workflows, and data are readily available through web applications. So far, we have built four major components, i.e, the central job manager, the centralized content registry, user portal, and search engine, and successfully deployed these components on a testing server. Since each component is an independent container, the whole platform or its individual service(s) can be easily deployed at servers of different scales, ranging from a laptop (usually a single user) to high performance clusters (HPC) accessed (simultaneously) by many users. Thus, MLExchange renders flexible using scenarios -- users could either access the services and resources from a remote server or run the whole platform or its individual service(s) within their local network.

Given data with label noise (i.e., incorrect data), deep neural networks would gradually memorize the label noise and impair model performance. To relieve this issue, curriculum learning is proposed to improve model performance and generalization by ordering training samples in a meaningful (e.g., easy to hard) sequence. Previous work takes incorrect samples as generic hard ones without discriminating between hard samples (i.e., hard samples in correct data) and incorrect samples. Indeed, a model should learn from hard samples to promote generalization rather than overfit to incorrect ones. In this paper, we address this problem by appending a novel loss function DiscrimLoss, on top of the existing task loss. Its main effect is to automatically and stably estimate the importance of easy samples and difficult samples (including hard and incorrect samples) at the early stages of training to improve the model performance. Then, during the following stages, DiscrimLoss is dedicated to discriminating between hard and incorrect samples to improve the model generalization. Such a training strategy can be formulated dynamically in a self-supervised manner, effectively mimicking the main principle of curriculum learning. Experiments on image classification, image regression, text sequence regression, and event relation reasoning demonstrate the versatility and effectiveness of our method, particularly in the presence of diversified noise levels.

While Graph Neural Networks (GNNs) have demonstrated their efficacy in dealing with non-Euclidean structural data, they are difficult to be deployed in real applications due to the scalability constraint imposed by multi-hop data dependency. Existing methods attempt to address this scalability issue by training multi-layer perceptrons (MLPs) exclusively on node content features using labels derived from trained GNNs. Even though the performance of MLPs can be significantly improved, two issues prevent MLPs from outperforming GNNs and being used in practice: the ignorance of graph structural information and the sensitivity to node feature noises. In this paper, we propose to learn NOise-robust Structure-aware MLPs On Graphs (NOSMOG) to overcome the challenges. Specifically, we first complement node content with position features to help MLPs capture graph structural information. We then design a novel representational similarity distillation strategy to inject structural node similarities into MLPs. Finally, we introduce the adversarial feature augmentation to ensure stable learning against feature noises and further improve performance. Extensive experiments demonstrate that NOSMOG outperforms GNNs and the state-of-the-art method in both transductive and inductive settings across seven datasets, while maintaining a competitive inference efficiency.

Partial label learning is a type of weakly supervised learning, where each training instance corresponds to a set of candidate labels, among which only one is true. In this paper, we introduce ProPaLL, a novel probabilistic approach to this problem, which has at least three advantages compared to the existing approaches: it simplifies the training process, improves performance, and can be applied to any deep architecture. Experiments conducted on artificial and real-world datasets indicate that ProPaLL outperforms the existing approaches.  ( 2 min )

Node classification using Graph Neural Networks (GNNs) has been widely applied in various real-world scenarios. However, in recent years, compelling evidence emerges that the performance of GNN-based node classification may deteriorate substantially by topological perturbation, such as random connections or adversarial attacks. Various solutions, such as topological denoising methods and mechanism design methods, have been proposed to develop robust GNN-based node classifiers but none of these works can fully address the problems related to topological perturbations. Recently, the Bayesian label transition model is proposed to tackle this issue but its slow convergence may lead to inferior performance. In this work, we propose a new label inference model, namely LInDT, which integrates both Bayesian label transition and topology-based label propagation for improving the robustness of GNNs against topological perturbations. LInDT is superior to existing label transition methods as it improves the label prediction of uncertain nodes by utilizing neighborhood-based label propagation leading to better convergence of label inference. Besides, LIndT adopts asymmetric Dirichlet distribution as a prior, which also helps it to improve label inference. Extensive experiments on five graph datasets demonstrate the superiority of LInDT for GNN-based node classification under three scenarios of topological perturbations.  ( 3 min )

Image clustering is an important, and open challenge task in computer vision. Although many methods have been proposed to solve the image clustering task, they only explore images and uncover clusters according to the image features, thus are unable to distinguish visually similar but semantically different images. In this paper, we propose to investigate the task of image clustering with the help of visual-language pre-training model. Different from the zero-shot setting in which the class names are known, we only know the number of clusters in this setting. Therefore, how to map images to a proper semantic space and how to cluster images from both image and semantic spaces are two key problems. To solve the above problems, we propose a novel image clustering method guided by the visual-language pre-training model CLIP, named as \textbf{Semantic-enhanced Image Clustering (SIC)}. In this new method, we propose a method to map the given images to a proper semantic space first and efficient methods to generate pseudo-labels according to the relationships between images and semantics. Finally, we propose to perform clustering with the consistency learning in both image space and semantic space, in a self-supervised learning fashion. Theoretical result on convergence analysis shows that our proposed method can converge in sublinear speed. Theoretical analysis on expectation risk also shows that we can reduce the expectation risk by improving the neighborhood consistency or prediction confidence or reducing neighborhood imbalance. Experimental results on five benchmark datasets clearly show the superiority of our new method.  ( 3 min )

While deep Embedding Learning approaches have witnessed widespread success in multiple computer vision tasks, the state-of-the-art methods for representing natural images need not necessarily perform well on images from other domains, such as paintings, cartoons, and sketch. This is because of the huge shift in the distribution of data from across these domains, as compared to natural images. Domains like sketch often contain sparse informative pixels. However, recognizing objects in such domains is crucial, given multiple relevant applications leveraging such data, for instance, sketch to image retrieval. Thus, achieving an Embedding Learning model that could perform well across multiple domains is not only challenging, but plays a pivotal role in computer vision. To this end, in this paper, we propose a novel Embedding Learning approach with the goal of generalizing across different domains. During training, given a query image from a domain, we employ gated fusion and attention to generate a positive example, which carries a broad notion of the semantics of the query object category (from across multiple domains). By virtue of Contrastive Learning, we pull the embeddings of the query and positive, in order to learn a representation which is robust across domains. At the same time, to teach the model to be discriminative against examples from different semantic categories (across domains), we also maintain a pool of negative embeddings (from different categories). We show the prowess of our method using the DomainBed framework, on the popular PACS (Photo, Art painting, Cartoon, and Sketch) dataset.  ( 3 min )

Object Detection, a fundamental computer vision problem, has paramount importance in smart camera systems. However, a truly reliable camera system could be achieved if and only if the underlying object detection component is robust enough across varying imaging conditions (or domains), for instance, different times of the day, adverse weather conditions, etc. In an effort to achieving a reliable camera system, in this paper, we make an attempt to train such a robust detector. Unfortunately, to build a well-performing detector across varying imaging conditions, one would require labeled training images (often in large numbers) from a plethora of corner cases. As manually obtaining such a large labeled dataset may be infeasible, we suggest using synthetic images, to mimic different training image domains. We propose a novel, contrastive learning method to align the latent representations of a pair of real and synthetic images, to make the detector robust to the different domains. However, we found that merely contrasting the embeddings may lead to catastrophic forgetting of the information essential for object detection. Hence, we employ a continual learning based penalty, to alleviate the issue of forgetting, while contrasting the representations. We showcase that our proposed method outperforms a wide range of alternatives to address the extremely challenging, yet under-studied scenario of object detection at night-time.  ( 3 min )

Surgical tool detection in minimally invasive surgery is an essential part of computer-assisted interventions. Current approaches are mostly based on supervised methods which require large fully labeled data to train supervised models and suffer from pseudo label bias because of class imbalance issues. However large image datasets with bounding box annotations are often scarcely available. Semi-supervised learning (SSL) has recently emerged as a means for training large models using only a modest amount of annotated data; apart from reducing the annotation cost. SSL has also shown promise to produce models that are more robust and generalizable. Therefore, in this paper we introduce a semi-supervised learning (SSL) framework in surgical tool detection paradigm which aims to mitigate the scarcity of training data and the data imbalance through a knowledge distillation approach. In the proposed work, we train a model with labeled data which initialises the Teacher-Student joint learning, where the Student is trained on Teacher-generated pseudo labels from unlabeled data. We propose a multi-class distance with a margin based classification loss function in the region-of-interest head of the detector to effectively segregate foreground classes from background region. Our results on m2cai16-tool-locations dataset indicate the superiority of our approach on different supervised data settings (1%, 2%, 5%, 10% of annotated data) where our model achieves overall improvements of 8%, 12% and 27% in mAP (on 1% labeled data) over the state-of-the-art SSL methods and a fully supervised baseline, respectively. The code is available at https://github.com/Mansoor-at/Semi-supervised-surgical-tool-det  ( 3 min )

Recent work in spoken language modeling shows the possibility of learning a language unsupervisedly from raw audio without any text labels. The approach relies first on transforming the audio into a sequence of discrete units (or pseudo-text) and then training a language model directly on such pseudo-text. Is such a discrete bottleneck necessary, potentially introducing irreversible errors in the encoding of the speech signal, or could we learn a language model without discrete units at all? In this work, we study the role of discrete versus continuous representations in spoken language modeling. We show that discretization is indeed essential for good results in spoken language modeling. We show that discretization removes linguistically irrelevant information from the continuous features, helping to improve language modeling performances. On the basis of this study, we train a language model on the discrete units of the HuBERT features, reaching new state-of-the-art results in the lexical, syntactic and semantic metrics of the Zero Resource Speech Challenge 2021 (Track 1 - Speech Only).  ( 2 min )

For the first time, we propose using a multiple instance learning based convolution-free transformer model, called Multiple Instance Neuroimage Transformer (MINiT), for the classification of T1weighted (T1w) MRIs. We first present several variants of transformer models adopted for neuroimages. These models extract non-overlapping 3D blocks from the input volume and perform multi-headed self-attention on a sequence of their linear projections. MINiT, on the other hand, treats each of the non-overlapping 3D blocks of the input MRI as its own instance, splitting it further into non-overlapping 3D patches, on which multi-headed self-attention is computed. As a proof-of-concept, we evaluate the efficacy of our model by training it to identify sex from T1w-MRIs of two public datasets: Adolescent Brain Cognitive Development (ABCD) and the National Consortium on Alcohol and Neurodevelopment in Adolescence (NCANDA). The learned attention maps highlight voxels contributing to identifying sex differences in brain morphometry. The code is available at https://github.com/singlaayush/MINIT.  ( 2 min )

Many genetic mutations adversely affect the structure and function of load-bearing soft tissues, with clinical sequelae often responsible for disability or death. Parallel advances in genetics and histomechanical characterization provide significant insight into these conditions, but there remains a pressing need to integrate such information. We present a novel genotype-to-biomechanical-phenotype neural network (G2{\Phi}net) for characterizing and classifying biomechanical properties of soft tissues, which serve as important functional readouts of tissue health or disease. We illustrate the utility of our approach by inferring the nonlinear, genotype-dependent constitutive behavior of the aorta for four mouse models involving defects or deficiencies in extracellular constituents. We show that G2{\Phi}net can infer the biomechanical response while simultaneously ascribing the associated genotype correctly by utilizing limited, noisy, and unstructured experimental data. More broadly, G2{\Phi}net provides a powerful method and a paradigm shift for correlating genotype and biomechanical phenotype quantitatively, promising a better understanding of their interplay in biological tissues.  ( 2 min )

The robustness of deep neural networks is crucial to modern AI-enabled systems and should be formally verified. Sigmoid-like neural networks have been adopted in a wide range of applications. Due to their non-linearity, Sigmoid-like activation functions are usually over-approximated for efficient verification, which inevitably introduces imprecision. Considerable efforts have been devoted to finding the so-called tighter approximations to obtain more precise verification results. However, existing tightness definitions are heuristic and lack theoretical foundations. We conduct a thorough empirical analysis of existing neuron-wise characterizations of tightness and reveal that they are superior only on specific neural networks. We then introduce the notion of network-wise tightness as a unified tightness definition and show that computing network-wise tightness is a complex non-convex optimization problem. We bypass the complexity from different perspectives via two efficient, provably tightest approximations. The results demonstrate the promising performance achievement of our approaches over state of the art: (i) achieving up to 251.28% improvement to certified lower robustness bounds; and (ii) exhibiting notably more precise verification results on convolutional networks.  ( 2 min )

Large-scale deep neural networks consume expensive training costs, but the training results in less-interpretable weight matrices constructing the networks. Here, we propose a mode decomposition learning that can interpret the weight matrices as a hierarchy of latent modes. These modes are akin to patterns in physics studies of memory networks. The mode decomposition learning not only saves a significant large amount of training costs, but also explains the network performance with the leading modes. The mode learning scheme shows a progressively compact latent space across the network hierarchy, and the least number of modes increases only logarithmically with the network width. Our mode decomposition learning is also studied in an analytic on-line learning setting, which reveals multi-stage of learning dynamics. Therefore, the proposed mode decomposition learning points to a cheap and interpretable route towards the magical deep learning.  ( 2 min )

While generative models have recently become ubiquitous in many scientific areas, less attention has been paid to their evaluation. For molecular generative models, the state-of-the-art examines their output in isolation or in relation to its input. However, their biological and functional properties, such as ligand-target interaction is not being addressed. In this study, a novel biologically-inspired benchmark for the evaluation of molecular generative models is proposed. Specifically, three diverse reference datasets are designed and a set of metrics are introduced which are directly relevant to the drug discovery process. In particular we propose a recreation metric, apply drug-target affinity prediction and molecular docking as complementary techniques for the evaluation of generative outputs. While all three metrics show consistent results across the tested generative models, a more detailed comparison of drug-target affinity binding and molecular docking scores revealed that unimodal predictiors can lead to erroneous conclusions about target binding on a molecular level and a multi-modal approach is thus preferrable. The key advantage of this framework is that it incorporates prior physico-chemical domain knowledge into the benchmarking process by focusing explicitly on ligand-target interactions and thus creating a highly efficient tool not only for evaluating molecular generative outputs in particular, but also for enriching the drug discovery process in general.  ( 3 min )

We propose the first unified theoretical analysis of mixed sample data augmentation (MSDA), such as Mixup and CutMix. Our theoretical results show that regardless of the choice of the mixing strategy, MSDA behaves as a pixel-level regularization of the underlying training loss and a regularization of the first layer parameters. Similarly, our theoretical results support that the MSDA training strategy can improve adversarial robustness and generalization compared to the vanilla training strategy. Using the theoretical results, we provide a high-level understanding of how different design choices of MSDA work differently. For example, we show that the most popular MSDA methods, Mixup and CutMix, behave differently, e.g., CutMix regularizes the input gradients by pixel distances, while Mixup regularizes the input gradients regardless of pixel distances. Our theoretical results also show that the optimal MSDA strategy depends on tasks, datasets, or model parameters. From these observations, we propose generalized MSDAs, a Hybrid version of Mixup and CutMix (HMix) and Gaussian Mixup (GMix), simple extensions of Mixup and CutMix. Our implementation can leverage the advantages of Mixup and CutMix, while our implementation is very efficient, and the computation cost is almost neglectable as Mixup and CutMix. Our empirical study shows that our HMix and GMix outperform the previous state-of-the-art MSDA methods in CIFAR-100 and ImageNet classification tasks. Source code is available at https://github.com/naver-ai/hmix-gmix  ( 3 min )

The research process includes many decisions, e.g., how to entitle and where to publish the paper. In this paper, we introduce a general framework for investigating the effects of such decisions. The main difficulty in investigating the effects is that we need to know counterfactual results, which are not available in reality. The key insight of our framework is inspired by the existing counterfactual analysis using twins, where the researchers regard twins as counterfactual units. The proposed framework regards a pair of papers that cite each other as twins. Such papers tend to be parallel works, on similar topics, and in similar communities. We investigate twin papers that adopted different decisions, observe the progress of the research impact brought by these studies, and estimate the effect of decisions by the difference in the impacts of these studies. We release our code and data, which we believe are highly beneficial owing to the scarcity of the dataset on counterfactual studies.  ( 2 min )

Robust learning on noisy-labeled data has been an important task in real applications, because label noise directly leads to the poor generalization of deep learning models. Existing label-noise learning methods usually assume that the ground-truth classes of the training data are balanced. However, the real-world data is often imbalanced, leading to the inconsistency between observed and intrinsic class distribution due to label noises. Distribution inconsistency makes the problem of label-noise learning more challenging because it is hard to distinguish clean samples from noisy samples on the intrinsic tail classes. In this paper, we propose a learning framework for label-noise learning with intrinsically long-tailed data. Specifically, we propose a robust sample selection method called two-stage bi-dimensional sample selection (TBSS) to better separate clean samples from noisy samples, especially for the tail classes. TBSS consists of two new separation metrics to jointly separate samples in each class. Extensive experiments on multiple noisy-labeled datasets with intrinsically long-tailed class distribution demonstrate the effectiveness of our method.  ( 2 min )

The design of Open Radio Access Network (O-RAN) compliant systems for configuring the virtualized Base Stations (vBSs) is of paramount importance for network operators. This task is challenging since optimizing the vBS scheduling procedure requires knowledge of parameters, which are erratic and demanding to obtain in advance. In this paper, we propose an online learning algorithm for balancing the performance and energy consumption of a vBS. This algorithm provides performance guarantees under unforeseeable conditions, such as non-stationary traffic and network state, and is oblivious to the vBS operation profile. We study the problem in its most general form and we prove that the proposed technique achieves sub-linear regret (i.e., zero average optimality gap) even in a fast-changing environment. By using real-world data and various trace-driven evaluations, our findings indicate savings of up to 74.3% in the power consumption of a vBS in comparison with state-of-the-art benchmarks.  ( 2 min )

We study the computational complexity of some explainable clustering problems in the framework proposed by [Dasgupta et al., ICML 2020], where explainability is achieved via axis-aligned decision trees. We consider the $k$-means, $k$-medians, $k$-centers and the spacing cost functions. We prove that the first three are hard to optimize while the latter can be optimized in polynomial time.  ( 2 min )

Graph pre-training strategies have been attracting a surge of attention in the graph mining community, due to their flexibility in parameterizing graph neural networks (GNNs) without any label information. The key idea lies in encoding valuable information into the backbone GNNs, by predicting the masked graph signals extracted from the input graphs. In order to balance the importance of diverse graph signals (e.g., nodes, edges, subgraphs), the existing approaches are mostly hand-engineered by introducing hyperparameters to re-weight the importance of graph signals. However, human interventions with sub-optimal hyperparameters often inject additional bias and deteriorate the generalization performance in the downstream applications. This paper addresses these limitations from a new perspective, i.e., deriving curriculum for pre-training GNNs. We propose an end-to-end model named MentorGNN that aims to supervise the pre-training process of GNNs across graphs with diverse structures and disparate feature spaces. To comprehend heterogeneous graph signals at different granularities, we propose a curriculum learning paradigm that automatically re-weighs graph signals in order to ensure a good generalization in the target domain. Moreover, we shed new light on the problem of domain adaption on relational data (i.e., graphs) by deriving a natural and interpretable upper bound on the generalization error of the pre-trained GNNs. Extensive experiments on a wealth of real graphs validate and verify the performance of MentorGNN.  ( 2 min )

In contrast to the older writing system of the 19th century, modern Hawaiian orthography employs characters for long vowels and glottal stops. These extra characters account for about one-third of the phonemes in Hawaiian, so including them makes a big difference to reading comprehension and pronunciation. However, transliterating between older and newer texts is a laborious task when performed manually. We introduce two related methods to help solve this transliteration problem automatically, given that there were not enough data to train an end-to-end deep learning model. One method is implemented, end-to-end, using finite state transducers (FSTs). The other is a hybrid deep learning approach which approximately composes an FST with a recurrent neural network (RNN). We find that the hybrid approach outperforms the end-to-end FST by partitioning the original problem into one part that can be modelled by hand, using an FST, and into another part, which is easily solved by an RNN trained on the available data.

Generative Adversarial Networks (GANs) are a widely-used tool for generative modeling of complex data. Despite their empirical success, the training of GANs is not fully understood due to the min-max optimization of the generator and discriminator. This paper analyzes these joint dynamics when the true samples, as well as the generated samples, are discrete, finite sets, and the discriminator is kernel-based. A simple yet expressive framework for analyzing training called the $\textit{Isolated Points Model}$ is introduced. In the proposed model, the distance between true samples greatly exceeds the kernel width, so each generated point is influenced by at most one true point. Our model enables precise characterization of the conditions for convergence, both to good and bad minima. In particular, the analysis explains two common failure modes: (i) an approximate mode collapse and (ii) divergence. Numerical simulations are provided that predictably replicate these behaviors.  ( 2 min )

Learning expressive representation is crucial in deep learning. In speech emotion recognition (SER), vacuum regions or noises in the speech interfere with expressive representation learning. However, traditional RNN-based models are susceptible to such noise. Recently, Graph Neural Network (GNN) has demonstrated its effectiveness for representation learning, and we adopt this framework for SER. In particular, we propose a cosine similarity-based graph as an ideal graph structure for representation learning in SER. We present a Cosine similarity-based Graph Convolutional Network (CoGCN) that is robust to perturbation and noise. Experimental results show that our method outperforms state-of-the-art methods or provides competitive results with a significant model size reduction with only 1/30 parameters.  ( 2 min )

We introduce a new differential privacy (DP) accountant called the saddle-point accountant (SPA). SPA approximates privacy guarantees for the composition of DP mechanisms in an accurate and fast manner. Our approach is inspired by the saddle-point method -- a ubiquitous numerical technique in statistics. We prove rigorous performance guarantees by deriving upper and lower bounds for the approximation error offered by SPA. The crux of SPA is a combination of large-deviation methods with central limit theorems, which we derive via exponentially tilting the privacy loss random variables corresponding to the DP mechanisms. One key advantage of SPA is that it runs in constant time for the $n$-fold composition of a privacy mechanism. Numerical experiments demonstrate that SPA achieves comparable accuracy to state-of-the-art accounting methods with a faster runtime.  ( 2 min )

In this paper, microchannel designs with secondary channels and with ribs are investigated using computational fluid dynamics and are coupled with a multi-objective optimization algorithm to determine and propose optimal solutions based on observed thermal resistance and pumping power. A workflow that combines Latin hypercube sampling, machine learning-based surrogate modeling and multi-objective optimization is proposed. Random forests, gradient boosting algorithms and neural networks were considered during the search for the best surrogate. We demonstrated that tuned neural networks can make accurate predictions and be used to create an acceptable surrogate model. Optimized solutions show a negligible difference in overall performance when compared to the conventional optimization approach. Additionally, solutions are calculated in one-fifth of the original time. Generated designs attain temperatures that are lower by more than 10% under the same pressure limits as a convectional microchannel design. When limited by temperature, pressure drops are reduced by more than 25%. Finally, the influence of each design variable on the thermal resistance and pumping power was investigated by employing the SHapley Additive exPlanations technique. Overall, we have demonstrated that the proposed framework has merit and can be used as a viable methodology in microchannel heat sink design optimization.  ( 2 min )

This paper studies class incremental learning (CIL) of continual learning (CL). Many approaches have been proposed to deal with catastrophic forgetting (CF) in CIL. Most methods incrementally construct a single classifier for all classes of all tasks in a single head network. To prevent CF, a popular approach is to memorize a small number of samples from previous tasks and replay them during training of the new task. However, this approach still suffers from serious CF as the parameters learned for previous tasks are updated or adjusted with only the limited number of saved samples in the memory. This paper proposes an entirely different approach that builds a separate classifier (head) for each task (called a multi-head model) using a transformer network, called MORE. Instead of using the saved samples in memory to update the network for previous tasks/classes in the existing approach, MORE leverages the saved samples to build a task specific classifier (adding a new classification head) without updating the network learned for previous tasks/classes. The model for the new task in MORE is trained to learn the classes of the task and also to detect samples that are not from the same data distribution (i.e., out-of-distribution (OOD)) of the task. This enables the classifier for the task to which the test instance belongs to produce a high score for the correct class and the classifiers of other tasks to produce low scores because the test instance is not from the data distributions of these classifiers. Experimental results show that MORE outperforms state-of-the-art baselines and is also naturally capable of performing OOD detection in the continual learning setting.  ( 3 min )

Recently, there have been significant developments in neural networks; thus, neural networks have been frequently used in the physics literature. This work estimates the masses of exotic hadrons, doubly charmed and bottomed baryons from the meson and baryon masses using neural networks. Subsequently, the number of data has been increased using the artificial data augmentation technique proposed recently. We have observed that the neural network's predictive ability increases using augmented data. This study has shown that data augmentation techniques play an essential role in improving neural network predictions; moreover, neural networks can make reasonable predictions for exotic hadrons, doubly charmed, and doubly bottomed baryons. The results are also comparable to Gaussian Process and Constituent Quark Model.  ( 2 min )

Early classification algorithms help users react faster to their machine learning model's predictions. Early warning systems in hospitals, for example, let clinicians improve their patients' outcomes by accurately predicting infections. While early classification systems are advancing rapidly, a major gap remains: existing systems do not consider irregular time series, which have uneven and often-long gaps between their observations. Such series are notoriously pervasive in impactful domains like healthcare. We bridge this gap and study early classification of irregular time series, a new setting for early classifiers that opens doors to more real-world problems. Our solution, Stop&Hop, uses a continuous-time recurrent network to model ongoing irregular time series in real time, while an irregularity-aware halting policy, trained with reinforcement learning, predicts when to stop and classify the streaming series. By taking real-valued step sizes, the halting policy flexibly decides exactly when to stop ongoing series in real time. This way, Stop&Hop seamlessly integrates information contained in the timing of observations, a new and vital source for early classification in this setting, with the time series values to provide early classifications for irregular time series. Using four synthetic and three real-world datasets, we demonstrate that Stop&Hop consistently makes earlier and more-accurate predictions than state-of-the-art alternatives adapted to this new problem. Our code is publicly available at https://github.com/thartvigsen/StopAndHop.  ( 3 min )

Predicting disruptions across different tokamaks is a great obstacle to overcome. Future tokamaks can hardly tolerate disruptions at high performance discharge. Few disruption discharges at high performance can hardly compose an abundant training set, which makes it difficult for current data-driven methods to obtain an acceptable result. A machine learning method capable of transferring a disruption prediction model trained on one tokamak to another is required to solve the problem. The key is a disruption prediction model containing a feature extractor that is able to extract common disruption precursor traces in tokamak diagnostic data, and a transferable disruption classifier. Based on the concerns above, the paper first presents a deep fusion feature extractor designed specifically for extracting disruption precursor features from common diagnostics on tokamaks according to currently known precursors of disruption, providing a promising foundation for transferable models. The fusion feature extractor is proved by comparing with manual feature extraction on J-TEXT. Based on the feature extractor trained on J-TEXT, the disruption prediction model was transferred to EAST data with mere 20 discharges from EAST experiment. The performance is comparable with a model trained with 1896 discharges from EAST. From the comparison among other model training scenarios, transfer learning showed its potential in predicting disruptions across different tokamaks.  ( 3 min )

Developing models with high interpretability and even deriving formulas to quantify relationships between biological data is an emerging need. We propose here a framework for ab initio derivation of sequence motifs and linear formula using a new approach based on the interpretable neural network model called contextual regression model. We showed that this linear model could predict gene expression levels using promoter sequences with a performance comparable to deep neural network models. We uncovered a list of 300 motifs with important regulatory roles on gene expression and showed that they also had significant contributions to cell-type specific gene expression in 154 diverse cell types. This work illustrates the possibility of deriving formulas to represent biology laws that may not be easily elucidated. (https://github.com/Wang-lab-UCSD/Motif_Finding_Contextual_Regression)  ( 2 min )

Data-driven predictive methods which can efficiently and accurately transform protein sequences into biologically active structures are highly valuable for scientific research and therapeutical development. Determining accurate folding landscape using co-evolutionary information is fundamental to the success of modern protein structure prediction methods. As the state of the art, AlphaFold2 has dramatically raised the accuracy without performing explicit co-evolutionary analysis. Nevertheless, its performance still shows strong dependence on available sequence homologs. We investigated the cause of such dependence and presented EvoGen, a meta generative model, to remedy the underperformance of AlphaFold2 for poor MSA targets. EvoGen allows us to manipulate the folding landscape either by denoising the searched MSA or by generating virtual MSA, and helps AlphaFold2 fold accurately in low-data regime or even achieve encouraging performance with single-sequence predictions. Being able to make accurate predictions with few-shot MSA not only generalizes AlphaFold2 better for orphan sequences, but also democratizes its use for high-throughput applications. Besides, EvoGen combined with AlphaFold2 yields a probabilistic structure generation method which could explore alternative conformations of protein sequences, and the task-aware differentiable algorithm for sequence generation will benefit other related tasks including protein design.  ( 3 min )

Structural topology optimization, which aims to find the optimal physical structure that maximizes mechanical performance, is vital in engineering design applications in aerospace, mechanical, and civil engineering. Generative adversarial networks (GANs) have recently emerged as a popular alternative to traditional iterative topology optimization methods. However, these models are often difficult to train, have limited generalizability, and due to their goal of mimicking optimal topologies, neglect manufacturability and performance objectives like mechanical compliance. We propose TopoDiff, a conditional diffusion-model-based architecture to perform performance-aware and manufacturability-aware topology optimization that overcomes these issues. Our model introduces a surrogate model-based guidance strategy that actively favors structures with low compliance and good manufacturability. Our method significantly outperforms a state-of-art conditional GAN by reducing the average error on physical performance by a factor of eight and by producing 11 times fewer infeasible samples. By introducing diffusion models to topology optimization, we show that conditional diffusion models have the ability to outperform GANs in engineering design synthesis applications too. Our work also suggests a general framework for engineering optimization problems using diffusion models and external performance and constraint-aware guidance.  ( 2 min )

Network science established itself as a prominent tool for modeling time series and complex systems. This modeling process consists of transforming a set or a single time series into a network. Nodes may represent complete time series, segments, or single values, while links define associations or similarities between the represented parts. R is one of the main programming languages used in data science, statistics, and machine learning, with many packages available. However, no single package provides the necessary methods to transform time series into networks. This paper presents ts2net, an R package for modeling one or multiple time series into networks. The package provides the time series distance functions that can be easily computed in parallel and in supercomputers to process larger data sets and methods to transform distance matrices into networks. Ts2net also provides methods to transform a single time series into a network, such as recurrence networks, visibility graphs, and transition networks. Together with other packages, ts2net permits using network science and graph mining tools to extract information from time series.  ( 2 min )

Classical federated learning approaches yield significant performance degradation in the presence of Non-IID data distributions of participants. When the distribution of each local dataset is highly different from the global one, the local objective of each client will be inconsistent with the global optima which incur a drift in the local updates. This phenomenon highly impacts the performance of clients. This is while the primary incentive for clients to participate in federated learning is to obtain better personalized models. To address the above-mentioned issue, we present a new algorithm, FLIS, which groups the clients population in clusters with jointly trainable data distributions by leveraging the inference similarity of clients' models. This framework captures settings where different groups of users have their own objectives (learning tasks) but by aggregating their data with others in the same cluster (same learning task) to perform more efficient and personalized federated learning. We present experimental results to demonstrate the benefits of FLIS over the state-of-the-art benchmarks on CIFAR-100/10, SVHN, and FMNIST datasets. Our code is available at https://github.com/MMorafah/FLIS.  ( 2 min )

In this paper, we establish efficient and uncoupled learning dynamics so that, when employed by all players in multiplayer perfect-recall imperfect-information extensive-form games, the \emph{trigger regret} of each player grows as $O(\log T)$ after $T$ repetitions of play. This improves exponentially over the prior best known trigger-regret bound of $O(T^{1/4})$, and settles a recent open question by Bai et al. (2022). As an immediate consequence, we guarantee convergence to the set of \emph{extensive-form correlated equilibria} and \emph{coarse correlated equilibria} at a near-optimal rate of $\frac{\log T}{T}$. Building on prior work, at the heart of our construction lies a more general result regarding fixed points deriving from rational functions with \emph{polynomial degree}, a property that we establish for the fixed points of \emph{(coarse) trigger deviation functions}. Moreover, our construction leverages a refined \textit{regret circuit} for the convex hull, which -- unlike prior guarantees -- preserves the \emph{RVU property} introduced by Syrgkanis et al. (NIPS, 2015); this observation has an independent interest in establishing near-optimal regret under learning dynamics based on a CFR-type decomposition of the regret.  ( 2 min )

While uniform sampling has been widely studied in the matrix completion literature, CUR sampling approximates a low-rank matrix via row and column samples. Unfortunately, both sampling models lack flexibility for various circumstances in real-world applications. In this work, we propose a novel and easy-to-implement sampling strategy, coined Cross-Concentrated Sampling (CCS). By bridging uniform sampling and CUR sampling, CCS provides extra flexibility that can potentially save sampling costs in applications. In addition, we also provide a sufficient condition for CCS-based matrix completion. Moreover, we propose a highly efficient non-convex algorithm, termed Iterative CUR Completion (ICURC), for the proposed CCS model. Numerical experiments verify the empirical advantages of CCS and ICURC against uniform sampling and its baseline algorithms, on both synthetic and real-world datasets.  ( 2 min )

The theory of learning in games is prominent in the AI community, motivated by several rising applications such as multi-agent reinforcement learning and Generative Adversarial Networks. We propose Mutation-driven Multiplicative Weights Update (M2WU) for learning an equilibrium in two-player zero-sum normal-form games and prove that it exhibits the last-iterate convergence property in both full- and noisy-information feedback settings. In the full-information feedback setting, the players observe their exact gradient vectors of the utility functions. On the other hand, in the noisy-information feedback setting, they can only observe the noisy gradient vectors. Existing algorithms, including the well-known Multiplicative Weights Update (MWU) and Optimistic MWU (OMWU) algorithms, fail to converge to a Nash equilibrium with noisy-information feedback. In contrast, M2WU exhibits the last-iterate convergence to a stationary point near a Nash equilibrium in both of the feedback settings. We then prove that it converges to an exact Nash equilibrium by adapting the mutation term iteratively. We empirically confirm that M2WU outperforms MWU and OMWU in exploitability and convergence rates.  ( 2 min )

As graph data becomes more ubiquitous, the need for robust inferential graph algorithms to operate in these complex data domains is crucial. In many cases of interest, inference is further complicated by the presence of adversarial data contamination. The effect of the adversary is frequently to change the data distribution in ways that negatively affect statistical and algorithmic performance. We study this phenomenon in the context of vertex nomination, a semi-supervised information retrieval task for network data. Here, a common suite of methods relies on spectral graph embeddings, which have been shown to provide both good algorithmic performance and flexible settings in which regularization techniques can be implemented to help mitigate the effect of an adversary. Many current regularization methods rely on direct network trimming to effectively excise the adversarial contamination, although this direct trimming often gives rise to complicated dependency structures in the resulting graph. We propose a new trimming method that operates in model space which can address both block structure contamination and white noise contamination (contamination whose distribution is unknown). This model trimming is more amenable to theoretical analysis while also demonstrating superior performance in a number of simulations, compared to direct trimming.  ( 2 min )

3D Point cloud is becoming a critical data representation in many real-world applications like autonomous driving, robotics, and medical imaging. Although the success of deep learning further accelerates the adoption of 3D point clouds in the physical world, deep learning is notorious for its vulnerability to adversarial attacks. In this work, we first identify that the state-of-the-art empirical defense, adversarial training, has a major limitation in applying to 3D point cloud models due to gradient obfuscation. We further propose PointDP, a purification strategy that leverages diffusion models to defend against 3D adversarial attacks. We extensively evaluate PointDP on six representative 3D point cloud architectures, and leverage 10+ strong and adaptive attacks to demonstrate its lower-bound robustness. Our evaluation shows that PointDP achieves significantly better robustness than state-of-the-art purification methods under strong attacks. Results of certified defenses on randomized smoothing combined with PointDP will be included in the near future.  ( 2 min )

Knowledge distillation is an effective approach for training compact recognizers required in autonomous driving. Recent studies on image classification have shown that matching student and teacher on a wide range of data points is critical for improving performance in distillation. This concept (called function matching) is suitable for driving scene recognition, where generally an almost infinite amount of unlabeled data are available. In this study, we experimentally investigate the impact of using such a large amount of unlabeled data for distillation on the performance of student models in structured prediction tasks for autonomous driving. Through extensive experiments, we demonstrate that the performance of the compact student model can be improved dramatically and even match the performance of the large-scale teacher by knowledge distillation with massive unlabeled data.  ( 2 min )

Event detection (ED), aiming to detect events from texts and categorize them, is vital to understanding actual happenings in real life. However, mainstream event detection models require high-quality expert human annotations of triggers, which are often costly and thus deter the application of ED to new domains. Therefore, in this paper, we focus on low-resource ED without triggers and aim to tackle the following formidable challenges: multi-label classification, insufficient clues, and imbalanced events distribution. We propose a novel trigger-free ED method via Derangement mechanism on a machine Reading Comprehension (DRC) framework. More specifically, we treat the input text as Context and concatenate it with all event type tokens that are deemed as Answers with an omitted default question. So we can leverage the self-attention in pre-trained language models to absorb semantic relations between input text and the event types. Moreover, we design a simple yet effective event derangement module (EDM) to prevent major events from being excessively learned so as to yield a more balanced training process. The experiment results show that our proposed trigger-free ED model is remarkably competitive to mainstream trigger-based models, showing its strong performance on low-source event detection.  ( 2 min )

Ever since Reddi et al. 2018 pointed out the divergence issue of Adam, many new variants have been designed to obtain convergence. However, vanilla Adam remains exceptionally popular and it works well in practice. Why is there a gap between theory and practice? We point out there is a mismatch between the settings of theory and practice: Reddi et al. 2018 pick the problem after picking the hyperparameters of Adam, i.e., $(\beta_1, \beta_2)$; while practical applications often fix the problem first and then tune $(\beta_1, \beta_2)$. Due to this observation, we conjecture that the empirical convergence can be theoretically justified, only if we change the order of picking the problem and hyperparameter. In this work, we confirm this conjecture. We prove that, when $\beta_2$ is large and $\beta_1 < \sqrt{\beta_2}<1$, Adam converges to the neighborhood of critical points. The size of the neighborhood is propositional to the variance of stochastic gradients. Under an extra condition (strong growth condition), Adam converges to critical points. As $\beta_2$ increases, our convergence result can cover any $\beta_1 \in [0,1)$ including $\beta_1=0.9$, which is the default setting in deep learning libraries. Our result shows that Adam can converge under a wide range of hyperparameters without any modification on its update rules. To our knowledge, we are the first to prove this result without strong assumptions such as bounded gradients. When $\beta_2$ is small, we further point out a large region of $(\beta_1,\beta_2)$ where Adam can diverge to infinity. Our divergence result considers the same setting as our convergence result, indicating a phase transition from divergence to convergence when increasing $\beta_2$. These positive and negative results can provide suggestions on how to tune Adam hyperparameters.  ( 3 min )

Multi-view unsupervised feature selection (MUFS) has been demonstrated as an effective technique to reduce the dimensionality of multi-view unlabeled data. The existing methods assume that all of views are complete. However, multi-view data are usually incomplete, i.e., a part of instances are presented on some views but not all views. Besides, learning the complete similarity graph, as an important promising technology in existing MUFS methods, cannot achieve due to the missing views. In this paper, we propose a complementary and consensus learning-based incomplete multi-view unsupervised feature selection method (C$^{2}$IMUFS) to address the aforementioned issues. Concretely, C$^{2}$IMUFS integrates feature selection into an extended weighted non-negative matrix factorization model equipped with adaptive learning of view-weights and a sparse $\ell_{2,p}$-norm, which can offer better adaptability and flexibility. By the sparse linear combinations of multiple similarity matrices derived from different views, a complementary learning-guided similarity matrix reconstruction model is presented to obtain the complete similarity graph in each view. Furthermore, C$^{2}$IMUFS learns a consensus clustering indicator matrix across different views and embeds it into a spectral graph term to preserve the local geometric structure. Comprehensive experimental results on real-world datasets demonstrate the effectiveness of C$^{2}$IMUFS compared with state-of-the-art methods.  ( 2 min )

Machine learning plays an increasingly important role in many areas of chemistry and materials science, e.g. to predict materials properties, to accelerate simulations, to design new materials, and to predict synthesis routes of new materials. Graph neural networks (GNNs) are one of the fastest growing classes of machine learning models. They are of particular relevance for chemistry and materials science, as they directly work on a graph or structural representation of molecules and materials and therefore have full access to all relevant information required to characterize materials. In this review article, we provide an overview of the basic principles of GNNs, widely used datasets, and state-of-the-art architectures, followed by a discussion of a wide range of recent applications of GNNs in chemistry and materials science, and concluding with a road-map for the further development and application of GNNs.  ( 2 min )

Class imbalance is a frequently occurring scenario in classification tasks. Learning from imbalanced data poses a major challenge, which has instigated a lot of research in this area. Data preprocessing using sampling techniques is a standard approach to deal with the imbalance present in the data. Since standard classification algorithms do not perform well on imbalanced data, the dataset needs to be adequately balanced before training. This can be accomplished by oversampling the minority class or undersampling the majority class. In this study, a novel hybrid sampling algorithm has been proposed. To overcome the limitations of the sampling techniques while ensuring the quality of the retained sampled dataset, a sophisticated framework has been developed to properly combine three different sampling techniques. Neighborhood Cleaning rule is first applied to reduce the imbalance. Random undersampling is then strategically coupled with the SMOTE algorithm to obtain an optimal balance in the dataset. This proposed hybrid methodology, termed "SMOTE-RUS-NC", has been compared with other state-of-the-art sampling techniques. The strategy is further incorporated into the ensemble learning framework to obtain a more robust classification algorithm, termed "SRN-BRF". Rigorous experimentation has been conducted on 26 imbalanced datasets with varying degrees of imbalance. In virtually all datasets, the proposed two algorithms outperformed existing sampling strategies, in many cases by a substantial margin. Especially in highly imbalanced datasets where popular sampling techniques failed utterly, they achieved unparalleled performance. The superior results obtained demonstrate the efficacy of the proposed models and their potential to be powerful sampling algorithms in imbalanced domain.  ( 3 min )

Indoor thermal comfort in smart buildings has a significant impact on the health and performance of occupants. Consequently, machine learning (ML) is increasingly used to solve challenges related to indoor thermal comfort. Temporal variability of thermal comfort perception is an important problem that regulates occupant well-being and energy consumption. However, in most ML-based thermal comfort studies, temporal aspects such as the time of day, circadian rhythm, and outdoor temperature are not considered. This work addresses these problems. It investigates the impact of circadian rhythm and outdoor temperature on the prediction accuracy and classification performance of ML models. The data is gathered through month-long field experiments carried out in 14 classrooms of 5 schools, involving 512 primary school students. Four thermal comfort metrics are considered as the outputs of Deep Neural Networks and Support Vector Machine models for the dataset. The effect of temporal variability on school children's comfort is shown through a "time of day" analysis. Temporal variability in prediction accuracy is demonstrated (up to 80%). Furthermore, we show that outdoor temperature (varying over time) positively impacts the prediction performance of thermal comfort models by up to 30%. The importance of spatio-temporal context is demonstrated by contrasting micro-level (location specific) and macro-level (6 locations across a city) performance. The most important finding of this work is that a definitive improvement in prediction accuracy is shown with an increase in the time of day and sky illuminance, for multiple thermal comfort metrics.  ( 3 min )

In computer vision, multi-label classification, including zero-shot multi-label classification are important tasks with many real-world applications. In this paper, we propose a novel algorithm, Aligned Dual moDality ClaSsifier (ADDS), which includes a Dual-Modal decoder (DM-decoder) with alignment between visual and textual features, for multi-label classification tasks. Moreover, we design a simple and yet effective method called Pyramid-Forwarding to enhance the performance for inputs with high resolutions. Extensive experiments conducted on standard multi-label benchmark datasets, MS-COCO and NUS-WIDE, demonstrate that our approach significantly outperforms previous methods and provides state-of-the-art performance for conventional multi-label classification, zero-shot multi-label classification, and an extreme case called single-to-multi label classification where models trained on single-label datasets (ImageNet-1k, ImageNet-21k) are tested on multi-label ones (MS-COCO and NUS-WIDE). We also analyze how visual-textual alignment contributes to the proposed approach, validate the significance of the DM-decoder, and demonstrate the effectiveness of Pyramid-Forwarding on vision transformer.  ( 2 min )

In many fields of scientific research and real-world applications, unbiased estimation of causal effects from non-experimental data is crucial for understanding the mechanism underlying the data and for decision-making on effective responses or interventions. A great deal of research has been conducted on this challenging problem from different angles. For causal effect estimation in data, assumptions such as Markov property, faithfulness and causal sufficiency are always made. Under the assumptions, full knowledge such as, a set of covariates or an underlying causal graph, is still required. A practical challenge is that in many applications, no such full knowledge or only some partial knowledge is available. In recent years, research has emerged to use a search strategy based on graphical causal modelling to discover useful knowledge from data for causal effect estimation, with some mild assumptions, and has shown promose in tackling the practical challenge. In this survey, we review the methods and focus on the challenges the data-driven methods face. We discuss the assumptions, strengths and limitations of the data-driven methods. We hope this review will motivate more researchers to design better data-driven methods based on graphical causal modelling for the challenging problem of causal effect estimation.  ( 2 min )

Deploying deep neural networks on low-resource edge devices is challenging due to their ever-increasing resource requirements. Recent investigations propose multiplication-free neural networks to reduce computation and memory consumption. Shift neural network is one of the most effective tools towards these reductions. However, existing low-bit shift networks are not as accurate as their full precision counterparts and cannot efficiently transfer to a wide range of tasks due to their inherent design flaws. We propose DenseShift network that exploits the following novel designs. First, we demonstrate that the zero-weight values in low-bit shift networks are neither useful to the model capacity nor simplify the model inference. Therefore, we propose to use a zero-free shifting mechanism to simplify inference while increasing the model capacity. Second, we design a new metric to measure the weight freezing issue in training low-bit shift networks, and propose a sign-scale decomposition to improve the training efficiency. Third, we propose the low-variance random initialization strategy to improve the model's performance in transfer learning scenarios. We run extensive experiments on various computer vision and speech tasks. The experimental results show that DenseShift network significantly outperforms existing low-bit multiplication-free networks and can achieve competitive performance to the full-precision counterpart. It also exhibits strong transfer learning performance with no drop in accuracy.  ( 3 min )

Conventional anti-jamming methods mainly focus on preventing single jammer attacks with an invariant jamming policy or jamming attacks from multiple jammers with similar jamming policies. These anti-jamming methods are ineffective against a single jammer following several different jamming policies or multiple jammers with distinct policies. Therefore, this paper proposes an anti-jamming method that can adapt its policy to the current jamming attack. Moreover, for the multiple jammers scenario, an anti-jamming method that estimates the future occupied channels using the jammers' occupied channels in previous time slots is proposed. In both single and multiple jammers scenarios, the interaction between the users and jammers is modeled using recurrent neural networks (RNN)s. The performance of the proposed anti-jamming methods is evaluated by calculating the users' successful transmission rate (STR) and ergodic rate (ER), and compared to a baseline based on Q-learning (DQL). Simulation results show that for the single jammer scenario, all the considered jamming policies are perfectly detected and high STR and ER are maintained. Moreover, when 70 % of the spectrum is under jamming attacks from multiple jammers, the proposed method achieves an STR and ER greater than 75 % and 80 %, respectively. These values rise to 90 % when 30 % of the spectrum is under jamming attacks. In addition, the proposed anti-jamming methods significantly outperform the DQL method for all the considered cases and jamming scenarios.  ( 3 min )

Software testing could be a lengthy and costly process, especially if the software under test is not testable. Refactoring techniques may enhance testability by improving the software metrics affecting testability. The metrics are determined while building regression models learning how to relate metrics computed for a source code to its testability. We identified 15 software metrics highly affecting testability while interpreting our testability prediction model. Our experiments with 42 java classes reveal that refactorings that improve these 15 metrics could enhance testability by an average of 15.57%, besides improving some other quality attributes. Our testability prediction model is trained to map source code metrics to test effectiveness and efficiency as two significant ingredients of testable software. Test effectiveness improves as the coverage gained by the test suite increases. On the other hand, the test efficiency reduces as the size of the test suite increases. This article offers a mathematical model to compute class testability in terms of the size and coverage of the test suite. We use this mathematical model to compute testability as the target of our testability prediction model. The mathematical model requires the execution of the class under test to compute test coverage, while our regression model measures testability statically. Prediction of test results in terms of testability should precede the test to avoid unnecessary costs. Our testability prediction model has been trained and tested on 23,886 Java classes and 262 software metrics. The learned model predicts testability with an R2 of 0.68 and a mean squared error of 0.03.  ( 3 min )

In many problems in modern statistics and machine learning, it is often of interest to establish that a first order method on a non-convex risk function eventually enters a region of parameter space in which the risk is locally convex. We derive an asymptotic comparison inequality, which we call the Sudakov-Fernique post-AMP inequality, which, in a certain class of problems involving a GOE matrix, is able to probe properties of an optimization landscape locally around the iterates of an approximate message passing (AMP) algorithm. As an example of its use, we provide a new, and arguably simpler, proof of some of the results of Celentano et al. (2021), which establishes that the so-called TAP free energy in the $\mathbb{Z}_2$-synchronization problem is locally convex in the region to which AMP converges. We further prove a conjecture of El Alaoui et al. (2022) involving the local convexity of a related but distinct TAP free energy, which, as a consequence, confirms that their algorithm efficiently samples from the Sherrington-Kirkpatrick Gibbs measure throughout the "easy" regime.  ( 2 min )

Blind image deblurring (BID) has been extensively studied in computer vision and adjacent fields. Modern methods for BID can be grouped into two categories: single-instance methods that deal with individual instances using statistical inference and numerical optimization, and data-driven methods that train deep-learning models to deblur future instances directly. Data-driven methods can be free from the difficulty in deriving accurate blur models, but are fundamentally limited by the diversity and quality of the training data -- collecting sufficiently expressive and realistic training data is a standing challenge. In this paper, we focus on single-instance methods that remain competitive and indispensable. However, most such methods do not prescribe how to deal with unknown kernel size and substantial noise, precluding practical deployment. Indeed, we show that several state-of-the-art (SOTA) single-instance methods are unstable when the kernel size is overspecified, and/or the noise level is high. On the positive side, we propose a practical BID method that is stable against both, the first of its kind. Our method builds on the recent ideas of solving inverse problems by integrating the physical models and structured deep neural networks, without extra training data. We introduce several crucial modifications to achieve the desired stability. Extensive empirical tests on standard synthetic datasets, as well as real-world NTIRE2020 and RealBlur datasets, show the superior effectiveness and practicality of our BID method compared to SOTA single-instance as well as data-driven methods. The code of our method is available at: \url{https://github.com/sun-umn/Blind-Image-Deblurring}.  ( 3 min )

Representation learning often plays a critical role in reinforcement learning by managing the curse of dimensionality. A representative class of algorithms exploits a spectral decomposition of the stochastic transition dynamics to construct representations that enjoy strong theoretical properties in an idealized setting. However, current spectral methods suffer from limited applicability because they are constructed for state-only aggregation and derived from a policy-dependent transition kernel, without considering the issue of exploration. To address these issues, we propose an alternative spectral method, Spectral Decomposition Representation (SPEDER), that extracts a state-action abstraction from the dynamics without inducing spurious dependence on the data collection policy, while also balancing the exploration-versus-exploitation trade-off during learning. A theoretical analysis establishes the sample efficiency of the proposed algorithm in both the online and offline settings. In addition, an experimental investigation demonstrates superior performance over current state-of-the-art algorithms across several benchmarks.  ( 2 min )

We study inverse reinforcement learning (IRL) and imitation learning (IM), the problems of recovering a reward or policy function from expert's demonstrated trajectories. We propose a new way to improve the learning process by adding a weight function to the maximum entropy framework, with the motivation of having the ability to learn and recover the stochasticity (or the bounded rationality) of the expert policy. Our framework and algorithms allow to learn both a reward (or policy) function and the structure of the entropy terms added to the Markov Decision Processes, thus enhancing the learning procedure. Our numerical experiments using human and simulated demonstrations and with discrete and continuous IRL/IM tasks show that our approach outperforms prior algorithms.  ( 2 min )

A common way to avoid overfitting in supervised learning is early stopping, where a held-out set is used for iterative evaluation during training to find a sweet spot in the number of training steps that gives maximum generalization. However, such a method requires a disjoint validation set, thus part of the labeled data from the training set is usually left out for this purpose, which is not ideal when training data is scarce. Furthermore, when the training labels are noisy, the performance of the model over a validation set may not be an accurate proxy for generalization. In this paper, we propose a method to spot an early stopping point in the training iterations without the need for a validation set. We first show that in the overparameterized regime the randomly initialized weights of a linear model converge to the same direction during training. Using this result, we propose to train two parallel instances of a linear model, initialized with different random seeds, and use their intersection as a signal to detect overfitting. In order to detect intersection, we use the cosine distance between the weights of the parallel models during training iterations. Noticing that the final layer of a NN is a linear map of pre-last layer activations to output logits, we build on our criterion for linear models and propose an extension to multi-layer networks, using the new notion of counterfactual weights. We conduct experiments on two areas that early stopping has noticeable impact on preventing overfitting of a NN: (i) learning from noisy labels; and (ii) learning to rank in IR. Our experiments on four widely used datasets confirm the effectiveness of our method for generalization. For a wide range of learning rates, our method, called Cosine-Distance Criterion (CDC), leads to better generalization on average than all the methods that we compare against in almost all of the tested cases.  ( 3 min )

Popularity bias is the idea that a recommender system will unduly favor popular artists when recommending artists to users. As such, they may contribute to a winner-take-all marketplace in which a small number of artists receive nearly all of the attention, while similarly meritorious artists are unlikely to be discovered. In this paper, we attempt to measure popularity bias in three state-of-art recommender system models (e.g., SLIM, Multi-VAE, WRMF) and on three commercial music streaming services (Spotify, Amazon Music, YouTube). We find that the most accurate model (SLIM) also has the most popularity bias while less accurate models have less popularity bias. We also find no evidence of popularity bias in the commercial recommendations based on a simulated user experiment.  ( 2 min )

In reinforcement learning, different reward functions can be equivalent in terms of the optimal policies they induce. A particularly well-known and important example is potential shaping, a class of functions that can be added to any reward function without changing the optimal policy set under arbitrary transition dynamics. Potential shaping is conceptually similar to potentials, conservative vector fields and gauge transformations in math and physics, but this connection has not previously been formally explored. We develop a formalism for discrete calculus on graphs that abstract a Markov Decision Process, and show how potential shaping can be formally interpreted as a gradient within this framework. This allows us to strengthen results from Ng et al. (1999) describing conditions under which potential shaping is the only additive reward transformation to always preserve optimal policies. As an additional application of our formalism, we define a rule for picking a single unique reward function from each potential shaping equivalence class.  ( 2 min )

The introduction of computational techniques to analyze chemical data has given rise to the analytical study of biological systems, known as "bioinformatics". One facet of bioinformatics is using machine learning (ML) technology to detect multivariable trends in various cases. Amongst the most pressing cases is predicting blood-brain barrier (BBB) permeability. The development of new drugs to treat central nervous system disorders presents unique challenges due to poor penetration efficacy across the blood-brain barrier. In this research, we aim to mitigate this problem through an ML model that analyzes chemical features. To do so: (i) An overview into the relevant biological systems and processes as well as the use case is given. (ii) Second, an in-depth literature review of existing computational techniques for detecting BBB permeability is undertaken. From there, an aspect unexplored across current techniques is identified and a solution is proposed. (iii) Lastly, a two-part in silico model to quantify likelihood of permeability of drugs with defined features across the BBB through passive diffusion is developed, tested, and reflected on. Testing and validation with the dataset determined the predictive logBB model's mean squared error to be around 0.112 units and the neuroinflammation model's mean squared error to be approximately 0.3 units, outperforming all relevant studies found.  ( 3 min )

Machine learning algorithms have been widely used in intrusion detection systems, including Multi-layer Perceptron (MLP). In this study, we proposed a two-stage model that combines the Birch clustering algorithm and MLP classifier to improve the performance of network anomaly multi-classification. In our proposed method, we first apply Birch or Kmeans as an unsupervised clustering algorithm to the CICIDS-2017 dataset to pre-group the data. The generated pseudo-label is then added as an additional feature to the training of the MLP-based classifier. The experimental results show that using Birch and K-Means clustering for data pre-grouping can improve intrusion detection system performance. Our method can achieve 99.73% accuracy in multi-classification using Birch clustering, which is better than similar researches using a stand-alone MLP model.  ( 2 min )

The high cost of the test can be dramatically reduced, provided that the coverability as an inherent feature of the code under test is predictable. This article offers a machine learning model to predict the extent to which the test could cover a class in terms of a new metric called Coverageability. The prediction model consists of an ensemble of four regression models. The learning samples consist of feature vectors, where features are source code metrics computed for a class. The samples are labeled by the Coverageability values computed for their corresponding classes. We offer a mathematical model to evaluate test effectiveness in terms of size and coverage of the test suite generated automatically for each class. We extend the size of the feature space by introducing a new approach to defining sub-metrics in terms of existing source code metrics. Using feature importance analysis on the learned prediction models, we sort source code metrics in the order of their impact on the test effectiveness. As a result of which, we found the class strict cyclomatic complexity as the most influential source code metric. Our experiments with the prediction models on a large corpus of Java projects containing about 23,000 classes demonstrate the Mean Absolute Error (MAE) of 0.032, Mean Squared Error (MSE) of 0.004, and an R2-score of 0.855. Compared with the state-of-the-art coverage prediction models, our models improve MAE, MSE, and an R2-score by 5.78%, 2.84%, and 20.71%, respectively.  ( 3 min )

We consider model-free reinforcement learning (RL) in non-stationary Markov decision processes. Both the reward functions and the state transition functions are allowed to vary arbitrarily over time as long as their cumulative variations do not exceed certain variation budgets. We propose Restarted Q-Learning with Upper Confidence Bounds (RestartQ-UCB), the first model-free algorithm for non-stationary RL, and show that it outperforms existing solutions in terms of dynamic regret. Specifically, RestartQ-UCB with Freedman-type bonus terms achieves a dynamic regret bound of $\widetilde{O}(S^{\frac{1}{3}} A^{\frac{1}{3}} \Delta^{\frac{1}{3}} H T^{\frac{2}{3}})$, where $S$ and $A$ are the numbers of states and actions, respectively, $\Delta>0$ is the variation budget, $H$ is the number of time steps per episode, and $T$ is the total number of time steps. We further present a parameter-free algorithm named Double-Restart Q-UCB that does not require prior knowledge of the variation budget. We show that our algorithms are \emph{nearly optimal} by establishing an information-theoretical lower bound of $\Omega(S^{\frac{1}{3}} A^{\frac{1}{3}} \Delta^{\frac{1}{3}} H^{\frac{2}{3}} T^{\frac{2}{3}})$, the first lower bound in non-stationary RL. Numerical experiments validate the advantages of RestartQ-UCB in terms of both cumulative rewards and computational efficiency. We demonstrate the power of our results in examples of multi-agent RL and inventory control across related products.  ( 3 min )

The quintessential model-based reinforcement-learning agent iteratively refines its estimates or prior beliefs about the true underlying model of the environment. Recent empirical successes in model-based reinforcement learning with function approximation, however, eschew the true model in favor of a surrogate that, while ignoring various facets of the environment, still facilitates effective planning over behaviors. Recently formalized as the value equivalence principle, this algorithmic technique is perhaps unavoidable as real-world reinforcement learning demands consideration of a simple, computationally-bounded agent interacting with an overwhelmingly complex environment, whose underlying dynamics likely exceed the agent's capacity for representation. In this work, we consider the scenario where agent limitations may entirely preclude identifying an exactly value-equivalent model, immediately giving rise to a trade-off between identifying a model that is simple enough to learn while only incurring bounded sub-optimality. To address this problem, we introduce an algorithm that, using rate-distortion theory, iteratively computes an approximately-value-equivalent, lossy compression of the environment which an agent may feasibly target in lieu of the true model. We prove an information-theoretic, Bayesian regret bound for our algorithm that holds for any finite-horizon, episodic sequential decision-making problem. Crucially, our regret bound can be expressed in one of two possible forms, providing a performance guarantee for finding either the simplest model that achieves a desired sub-optimality gap or, alternatively, the best model given a limit on agent capacity.  ( 3 min )

It is well-known that modern neural networks are vulnerable to adversarial examples. To mitigate this problem, a series of robust learning algorithms have been proposed. However, although the robust training error can be near zero via some methods, all existing algorithms lead to a high robust generalization error. In this paper, we provide a theoretical understanding of this puzzling phenomenon from the perspective of expressive power for deep neural networks. Specifically, for binary classification problems with well-separated data, we show that, for ReLU networks, while mild over-parameterization is sufficient for high robust training accuracy, there exists a constant robust generalization gap unless the size of the neural network is exponential in the data dimension $d$. Even if the data is linear separable, which means achieving low clean generalization error is easy, we can still prove an $\exp({\Omega}(d))$ lower bound for robust generalization. In general, our exponential lower bounds hold true for a variety of neural network families and other function classes as well, as long as their VC dimension is at most polynomial in the number of parameters. Moreover, we establish an improved upper bound of $\exp({\mathcal{O}}(k))$ for the network size to achieve low robust generalization error when the data lies on a manifold with intrinsic dimension $k$ ($k \ll d$). Nonetheless, we also have a lower bound that grows exponentially with respect to $k$ -- the curse of dimensionality is inevitable. By demonstrating an exponential separation between the network size for achieving low robust training and generalization error, our results reveal that the hardness of robust generalization may stem from the expressive power of practical models.  ( 3 min )

This work theoretically studies a ubiquitous reinforcement learning policy for controlling the canonical model of continuous-time stochastic linear-quadratic systems. We show that randomized certainty equivalent policy addresses the exploration-exploitation dilemma in linear control systems that evolve according to unknown stochastic differential equations and their operating cost is quadratic. More precisely, we establish square-root of time regret bounds, indicating that randomized certainty equivalent policy learns optimal control actions fast from a single state trajectory. Further, linear scaling of the regret with the number of parameters is shown. The presented analysis introduces novel and useful technical approaches, and sheds light on fundamental challenges of continuous-time reinforcement learning.  ( 2 min )

Robustness and stability of image-reconstruction algorithms have recently come under scrutiny. Their importance to medical imaging cannot be overstated. We review the known results for the topical variational regularization strategies ($\ell_2$ and $\ell_1$ regularization) and present novel stability results for $\ell_p$-regularized linear inverse problems for $p\in(1,\infty)$. Our results guarantee Lipschitz continuity for small $p$ and H\"{o}lder continuity for larger $p$. They generalize well to the $L_p(\Omega)$ function spaces.  ( 2 min )

Gaussian processes are the leading method for non-parametric regression on small to medium datasets. One main challenge is the choice of kernel and optimization of hyperparameters. We propose a novel regression method that does not require specification of a kernel, length scale, variance, nor prior mean. Its only hyperparameter is the assumed regularity (degree of differentiability) of the true function. We achieve this with a novel non-Gaussian stochastic process that we construct from minimal assumptions of translation and scale invariance. The process can be thought of as a hierarchical Gaussian process model, where the hyperparameters have been incorporated into the process itself. To perform inference with this process we develop the required mathematical tools. It turns out that for interpolation, the posterior is a t-process with a polyharmonic spline as mean. For regression, we state the exact posterior and find its mean (again a polyharmonic spline) and approximate variance with a sampling method. Experiments show a performance equal to that of Gaussian processes with optimized hyperparameters. The most important insight is that it is possible to derive a working machine learning method by assuming nothing but regularity and scale- and translation invariance, without any other model assumptions.  ( 2 min )

A population-level analysis is proposed to address data sparsity when building predictive models for engineering infrastructure. Utilising an interpretable hierarchical Bayesian approach and operational fleet data, domain expertise is naturally encoded (and appropriately shared) between different sub-groups, representing (i) use-type, (ii) component, or (iii) operating condition. Specifically, domain expertise is exploited to constrain the model via assumptions (and prior distributions) allowing the methodology to automatically share information between similar assets, improving the survival analysis of a truck fleet and power prediction in a wind farm. In each asset management example, a set of correlated functions is learnt over the fleet, in a combined inference, to learn a population model. Parameter estimation is improved when sub-fleets are allowed to share correlated information at different levels in the hierarchy. In turn, groups with incomplete data automatically borrow statistical strength from those that are data-rich. The statistical correlations enable knowledge transfer via Bayesian transfer learning, and the correlations can be inspected to inform which assets share information for which effect (i.e. parameter). Successes in both case studies demonstrate the wide applicability in practical infrastructure monitoring, since the approach is naturally adapted between interpretable fleet models of different in-situ examples.  ( 3 min )

Data-driven design shows the promise of accelerating materials discovery but is challenging due to the prohibitive cost of searching the vast design space of chemistry, structure, and synthesis methods. Bayesian Optimization (BO) employs uncertainty-aware machine learning models to select promising designs to evaluate, hence reducing the cost. However, BO with mixed numerical and categorical variables, which is of particular interest in materials design, has not been well studied. In this work, we survey frequentist and Bayesian approaches to uncertainty quantification of machine learning with mixed variables. We then conduct a systematic comparative study of their performances in BO using a popular representative model from each group, the random forest-based Lolo model (frequentist) and the latent variable Gaussian process model (Bayesian). We examine the efficacy of the two models in the optimization of mathematical functions, as well as properties of structural and functional materials, where we observe performance differences as related to problem dimensionality and complexity. By investigating the machine learning models' predictive and uncertainty estimation capabilities, we provide interpretations of the observed performance differences. Our results provide practical guidance on choosing between frequentist and Bayesian uncertainty-aware machine learning models for mixed-variable BO in materials design.  ( 3 min )

There has been growing interest in generalization performance of large multilayer neural networks that can be trained to achieve zero training error, while generalizing well on test data. This regime is known as 'second descent' and it appears to contradict the conventional view that optimal model complexity should reflect an optimal balance between underfitting and overfitting, i.e., the bias-variance trade-off. This paper presents a VC-theoretical analysis of double descent and shows that it can be fully explained by classical VC-generalization bounds. We illustrate an application of analytic VC-bounds for modeling double descent for classification problems, using empirical results for several learning methods, such as SVM, Least Squares, and Multilayer Perceptron classifiers. In addition, we discuss several reasons for the misinterpretation of VC-theoretical results in Deep Learning community.  ( 2 min )

While a broad range of techniques have been proposed to tackle distribution shift, the simple baseline of training on an $\textit{undersampled}$ dataset often achieves close to state-of-the-art-accuracy across several popular benchmarks. This is rather surprising, since undersampling algorithms discard excess majority group data. To understand this phenomenon, we ask if learning is fundamentally constrained by a lack of minority group samples. We prove that this is indeed the case in the setting of nonparametric binary classification. Our results show that in the worst case, an algorithm cannot outperform undersampling unless there is a high degree of overlap between the train and test distributions (which is unlikely to be the case in real-world datasets), or if the algorithm leverages additional structure about the distribution shift. In particular, in the case of label shift we show that there is always an undersampling algorithm that is minimax optimal. While in the case of group-covariate shift we show that there is an undersampling algorithm that is minimax optimal when the overlap between the group distributions is small. We also perform an experimental case study on a label shift dataset and find that in line with our theory the test accuracy of robust neural network classifiers is constrained by the number of minority samples.  ( 3 min )

This work studies distributionally robust evaluation of expected function values over temporal data. A set of alternative measures is characterized by the causal optimal transport. We prove the strong duality and recast the causality constraint as minimization over an infinite-dimensional test function space. We approximate test functions by neural networks and prove the sample complexity with Rademacher complexity. Moreover, when structural information is available to further restrict the ambiguity set, we prove the dual formulation and provide efficient optimization methods. Empirical analysis on realized volatility and stock indices demonstrate that our framework offers an attractive alternative to the classic optimal transport formulation.  ( 2 min )

A recent line of work has analyzed the theoretical properties of deep neural networks via the Neural Tangent Kernel (NTK). In particular, the smallest eigenvalue of the NTK has been related to the memorization capacity, the global convergence of gradient descent algorithms and the generalization of deep nets. However, existing results either provide bounds in the two-layer setting or assume that the spectrum of the NTK matrices is bounded away from 0 for multi-layer networks. In this paper, we provide tight bounds on the smallest eigenvalue of NTK matrices for deep ReLU nets, both in the limiting case of infinite widths and for finite widths. In the finite-width setting, the network architectures we consider are fairly general: we require the existence of a wide layer with roughly order of $N$ neurons, $N$ being the number of data samples; and the scaling of the remaining layer widths is arbitrary (up to logarithmic factors). To obtain our results, we analyze various quantities of independent interest: we give lower bounds on the smallest singular value of hidden feature matrices, and upper bounds on the Lipschitz constant of input-output feature maps.  ( 3 min )

Graph neural networks (GNNs) have been shown to possess strong representation power, which can be exploited for downstream prediction tasks on graph-structured data, such as molecules and social networks. They typically learn representations by aggregating information from the $K$-hop neighborhood of individual vertices or from the enumerated walks in the graph. Prior studies have demonstrated the effectiveness of incorporating weighting schemes into GNNs; however, this has been primarily limited to $K$-hop neighborhood GNNs so far. In this paper, we aim to design an algorithm incorporating weighting schemes into walk-aggregating GNNs and analyze their effect. We propose a novel GNN model, called AWARE, that aggregates information about the walks in the graph using attention schemes. This leads to an end-to-end supervised learning method for graph-level prediction tasks in the standard setting where the input is the adjacency and vertex information of a graph, and the output is a predicted label for the graph. We then perform theoretical, empirical, and interpretability analyses of AWARE. Our theoretical analysis in a simplified setting identifies successful conditions for provable guarantees, demonstrating how the graph information is encoded in the representation, and how the weighting schemes in AWARE affect the representation and learning performance. Our experiments demonstrate the strong performance of AWARE in graph-level prediction tasks in the standard setting in the domains of molecular property prediction and social networks. Lastly, our interpretation study illustrates that AWARE can successfully capture the important substructures of the input graph. The code is available on $\href{https://github.com/mehmetfdemirel/aware}{GitHub}$.  ( 3 min )

We study a theory of reinforcement learning (RL) in which the learner receives binary feedback only once at the end of an episode. While this is an extreme test case for theory, it is also arguably more representative of real-world applications than the traditional requirement in RL practice that the learner receive feedback at every time step. Indeed, in many real-world applications of reinforcement learning, such as self-driving cars and robotics, it is easier to evaluate whether a learner's complete trajectory was either "good" or "bad," but harder to provide a reward signal at each step. To show that learning is possible in this more challenging setting, we study the case where trajectory labels are generated by an unknown parametric model, and provide a statistically and computationally efficient algorithm that achieves sublinear regret.  ( 2 min )

Gradient boosted trees are competition-winning, general-purpose, non-parametric regressors, which exploit sequential model fitting and gradient descent to minimize a specific loss function. The most popular implementations are tailored to univariate regression and classification tasks, precluding the possibility of capturing multivariate target cross-correlations and applying structured penalties to the predictions. In this paper, we present a computationally efficient algorithm for fitting multivariate boosted trees. We show that multivariate trees can outperform their univariate counterpart when the predictions are correlated. Furthermore, the algorithm allows to arbitrarily regularize the predictions, so that properties like smoothness, consistency and functional relations can be enforced. We present applications and numerical results related to forecasting and control.  ( 2 min )

Matrix factorization (MF) has been widely applied to collaborative filtering in recommendation systems. Its Bayesian variants can derive posterior distributions of user and item embeddings, and are more robust to sparse ratings. However, the Bayesian methods are restricted by their update rules for the posterior parameters due to the conjugacy of the priors and the likelihood. Variational autoencoders (VAE) can address this issue by capturing complex mappings between the posterior parameters and the data. However, current research on VAEs for collaborative filtering only considers the mappings based on the explicit data information while the implicit embedding information is overlooked. In this paper, we first derive evidence lower bounds (ELBO) for Bayesian MF models from two viewpoints: user-oriented and item-oriented. Based on the ELBOs, we propose a VAE-based Bayesian MF framework. It leverages not only the data but also the embedding information to approximate the user-item joint distribution. As suggested by the ELBOs, the approximation is iterative with cross feedback of user and item embeddings into each other's encoders. More specifically, user embeddings sampled at the previous iteration are fed to the item-side encoders to estimate the posterior parameters for the item embeddings at the current iteration, and vice versa. The estimation also attends to the cross-fed embeddings to further exploit useful information. The decoder then reconstructs the data via the matrix factorization over the currently re-sampled user and item embeddings.  ( 3 min )

Metric elicitation is a recent framework for eliciting classification performance metrics that best reflect implicit user preferences based on the task and context. However, available elicitation strategies have been limited to linear (or quasi-linear) functions of predictive rates, which can be practically restrictive for many applications including fairness. This paper develops a strategy for eliciting more flexible multiclass metrics defined by quadratic functions of rates, designed to reflect human preferences better. We show its application in eliciting quadratic violation-based group-fair metrics. Our strategy requires only relative preference feedback, is robust to noise, and achieves near-optimal query complexity. We further extend this strategy to eliciting polynomial metrics -- thus broadening the use cases for metric elicitation.  ( 2 min )

This paper is concerned with two-player zero-sum Markov games -- arguably the most basic setting in multi-agent reinforcement learning -- with the goal of learning a Nash equilibrium (NE) sample-optimally. All prior results suffer from at least one of the two obstacles: the curse of multiple agents and the barrier of long horizon, regardless of the sampling protocol in use. We take a step towards settling this problem, assuming access to a flexible sampling mechanism: the generative model. Focusing on non-stationary finite-horizon Markov games, we develop a learning algorithm $\mathsf{Nash}\text{-}\mathsf{Q}\text{-}\mathsf{FTRL}$ and an adaptive sampling scheme that leverage the optimism principle in adversarial learning (particularly the Follow-the-Regularized-Leader (FTRL) method), with a delicate design of bonus terms that ensure certain decomposability under the FTRL dynamics. Our algorithm learns an $\varepsilon$-approximate Markov NE policy using $$ \widetilde{O}\bigg( \frac{H^4 S(A+B)}{\varepsilon^2} \bigg) $$ samples, where $S$ is the number of states, $H$ is the horizon, and $A$ (resp.~$B$) denotes the number of actions for the max-player (resp.~min-player). This is nearly un-improvable in a minimax sense. Along the way, we derive a refined regret bound for FTRL that makes explicit the role of variance-type quantities, which might be of independent interest.  ( 2 min )

Learning exists in the context of data, yet notions of confidence typically focus on model predictions, not label quality. Confident learning (CL) is an alternative approach which focuses instead on label quality by characterizing and identifying label errors in datasets, based on the principles of pruning noisy data, counting with probabilistic thresholds to estimate noise, and ranking examples to train with confidence. Whereas numerous studies have developed these principles independently, here, we combine them, building on the assumption of a class-conditional noise process to directly estimate the joint distribution between noisy (given) labels and uncorrupted (unknown) labels. This results in a generalized CL which is provably consistent and experimentally performant. We present sufficient conditions where CL exactly finds label errors, and show CL performance exceeding seven recent competitive approaches for learning with noisy labels on the CIFAR dataset. Uniquely, the CL framework is not coupled to a specific data modality or model (e.g., we use CL to find several label errors in the presumed error-free MNIST dataset and improve sentiment classification on text data in Amazon Reviews). We also employ CL on ImageNet to quantify ontological class overlap (e.g., estimating 645 "missile" images are mislabeled as their parent class "projectile"), and moderately increase model accuracy (e.g., for ResNet) by cleaning data prior to training. These results are replicable using the open-source cleanlab release.  ( 3 min )

Sparse regression and classification estimators that respect group structures have application to an assortment of statistical and machine learning problems, from multitask learning to sparse additive modeling to hierarchical selection. This work introduces structured sparse estimators that combine group subset selection with shrinkage. To accommodate sophisticated structures, our estimators allow for arbitrary overlap between groups. We develop an optimization framework for fitting the nonconvex regularization surface and present finite-sample error bounds for estimation of the regression function. As an application requiring structure, we study sparse semiparametric modeling, a procedure that allows the effect of each predictor to be zero, linear, or nonlinear. For this task, the new estimators improve across several metrics on synthetic data compared to alternatives. Finally, we demonstrate their efficacy in modeling supermarket foot traffic and economic recessions using many predictors. These demonstrations suggest sparse semiparametric models, fit using the new estimators, are an excellent compromise between fully linear and fully nonparametric alternatives. All of our algorithms are made available in the scalable implementation grpsel.  ( 2 min )

The vulnerabilities of deep neural networks against adversarial examples have become a significant concern for deploying these models in sensitive domains. Devising a definitive defense against such attacks is proven to be challenging, and the methods relying on detecting adversarial samples are only valid when the attacker is oblivious to the detection mechanism. In this paper we propose a principled adversarial example detection method that can withstand norm-constrained white-box attacks. Inspired by one-versus-the-rest classification, in a K class classification problem, we train K binary classifiers where the i-th binary classifier is used to distinguish between clean data of class i and adversarially perturbed samples of other classes. At test time, we first use a trained classifier to get the predicted label (say k) of the input, and then use the k-th binary classifier to determine whether the input is a clean sample (of class k) or an adversarially perturbed example (of other classes). We further devise a generative approach to detecting/classifying adversarial examples by interpreting each binary classifier as an unnormalized density model of the class-conditional data. We provide comprehensive evaluation of the above adversarial example detection/classification methods, and demonstrate their competitive performances and compelling properties.  ( 3 min )

In this paper, we study the problem of estimating smooth Generalized Linear Models (GLMs) in the Non-interactive Local Differential Privacy (NLDP) model. Different from its classical setting, our model allows the server to access some additional public but unlabeled data. In the first part of the paper we focus on GLMs. Specifically, we first consider the case where each data record is i.i.d. sampled from a zero-mean multivariate Gaussian distribution. Motivated by the Stein's lemma, we present an $(\epsilon, \delta)$-NLDP algorithm for GLMs. Moreover, the sample complexity of public and private data for the algorithm to achieve an $\ell_2$-norm estimation error of $\alpha$ (with high probability) is ${O}(p \alpha^{-2})$ and $\tilde{O}(p^3\alpha^{-2}\epsilon^{-2})$ respectively, where $p$ is the dimension of the feature vector. This is a significant improvement over the previously known exponential or quasi-polynomial in $\alpha^{-1}$, or exponential in $p$ sample complexities of GLMs with no public data. Then we consider a more general setting where each data record is i.i.d. sampled from some sub-Gaussian distribution with bounded $\ell_1$-norm. Based on a variant of Stein's lemma, we propose an $(\epsilon, \delta)$-NLDP algorithm for GLMs whose sample complexity of public and private data to achieve an $\ell_\infty$-norm estimation error of $\alpha$ is ${O}(p^2\alpha^{-2})$ and $\tilde{O}(p^2\alpha^{-2}\epsilon^{-2})$ respectively, under some mild assumptions and if $\alpha$ is not too small ({\em i.e.,} $\alpha\geq \Omega(\frac{1}{\sqrt{p}})$). In the second part of the paper, we extend our idea to the problem of estimating non-linear regressions and show similar results as in GLMs for both multivariate Gaussian and sub-Gaussian cases. Finally, we demonstrate the effectiveness of our algorithms through experiments on both synthetic and real-world datasets.  ( 3 min )

SHAP is a popular method for measuring variable importance in machine learning models. In this paper, we study the algorithm used to estimate SHAP scores and show that it is a transformation of the functional ANOVA decomposition. We use this connection to show that challenges in SHAP approximations largely relate to the choice of a feature distribution and the number of $2^p$ ANOVA terms estimated. We argue that the connection between machine learning explainability and sensitivity analysis is illuminating in this case, but the immediate practical consequences are not obvious since the two fields face a different set of constraints. Machine learning explainability concerns models which are inexpensive to evaluate but often have hundreds, if not thousands, of features. Sensitivity analysis typically deals with models from physics or engineering which may be very time consuming to run, but operate on a comparatively small space of inputs.  ( 2 min )

The designs of many large-scale systems today, from traffic routing environments to smart grids, rely on game-theoretic equilibrium concepts. However, as the size of an $N$-player game typically grows exponentially with $N$, standard game theoretic analysis becomes effectively infeasible beyond a low number of players. Recent approaches have gone around this limitation by instead considering Mean-Field games, an approximation of anonymous $N$-player games, where the number of players is infinite and the population's state distribution, instead of every individual player's state, is the object of interest. The practical computability of Mean-Field Nash equilibria, the most studied Mean-Field equilibrium to date, however, typically depends on beneficial non-generic structural properties such as monotonicity or contraction properties, which are required for known algorithms to converge. In this work, we provide an alternative route for studying Mean-Field games, by developing the concepts of Mean-Field correlated and coarse-correlated equilibria. We show that they can be efficiently learnt in \emph{all games}, without requiring any additional assumption on the structure of the game, using three classical algorithms. Furthermore, we establish correspondences between our notions and those already present in the literature, derive optimality bounds for the Mean-Field - $N$-player transition, and empirically demonstrate the convergence of these algorithms on simple games.  ( 2 min )

The dominant paradigm in statistical inference relies on a structure of i.i.d. data from a hypothetical infinite population. Despite its success, this framework is inflexible under complex data structures, even in those cases where it is clear what the infinite population represents. In this paper, we explore an alternative framework whereby the basis of inference is only an invariance assumption on the model errors, such as exchangeability or sign symmetry. As a general method to address this problem of invariant inference, we propose a randomization-based procedure. We prove general conditions for asymptotic validity of this procedure, and illustrate in many data structures, including clustered errors in one-way and two-way layouts. We find that invariant inference via residual randomization has three appealing properties: (1) It is valid under weak and interpretable conditions, allowing for problems with heavy-tailed data, finite clustering, and even some high-dimensional settings. (2) It is robust in finite samples as it does not rely on the regularity conditions needed for classical asymptotics. (3) It addresses the problem of inference in a unified way that adapts to the data structure. Classical procedures like OLS or bootstrap, on the other hand, presuppose the i.i.d. structure, and need to be modified whenever the actual problem structure is different. This mismatch in the classical framework has led to a multitude of robust error techniques and bootstrap variants, which frequently confounds applied research. We corroborate these findings with extensive empirical evaluations. Residual randomization performs favorably against many alternatives, including robust error methods, bootstrap variants, and hierarchical models.  ( 3 min )

The use of machine learning models in consequential decision making often exacerbates societal inequity, in particular yielding disparate impact on members of marginalized groups defined by race and gender. The area under the ROC curve (AUC) is widely used to evaluate the performance of a scoring function in machine learning, but is studied in algorithmic fairness less than other performance metrics. Due to the pairwise nature of the AUC, defining an AUC-based group fairness metric is pairwise-dependent and may involve both \emph{intra-group} and \emph{inter-group} AUCs. Importantly, considering only one category of AUCs is not sufficient to mitigate unfairness in AUC optimization. In this paper, we propose a minimax learning and bias mitigation framework that incorporates both intra-group and inter-group AUCs while maintaining utility. Based on this Rawlsian framework, we design an efficient stochastic optimization algorithm and prove its convergence to the minimum group-level AUC. We conduct numerical experiments on both synthetic and real-world datasets to validate the effectiveness of the minimax framework and the proposed optimization algorithm.  ( 2 min )

This paper develops a Bayesian graphical model for fusing disparate types of count data. The motivating application is the study of bacterial communities from diverse high dimensional features, in this case transcripts, collected from different treatments. In such datasets, there are no explicit correspondences between the communities and each correspond to different factors, making data fusion challenging. We introduce a flexible multinomial-Gaussian generative model for jointly modeling such count data. This latent variable model jointly characterizes the observed data through a common multivariate Gaussian latent space that parameterizes the set of multinomial probabilities of the transcriptome counts. The covariance matrix of the latent variables induces a covariance matrix of co-dependencies between all the transcripts, effectively fusing multiple data sources. We present a computationally scalable variational Expectation-Maximization (EM) algorithm for inferring the latent variables and the parameters of the model. The inferred latent variables provide a common dimensionality reduction for visualizing the data and the inferred parameters provide a predictive posterior distribution. In addition to simulation studies that demonstrate the variational EM procedure, we apply our model to a bacterial microbiome dataset.  ( 2 min )

Marketing campaigns are a set of strategic activities that can promote a business's goal. The effect prediction for marketing campaigns in a real industrial scenario is very complex and challenging due to the fact that prior knowledge is often learned from observation data, without any intervention for the marketing campaign. Furthermore, each subject is always under the interference of several marketing campaigns simultaneously. Therefore, we cannot easily parse and evaluate the effect of a single marketing campaign. To the best of our knowledge, there are currently no effective methodologies to solve such a problem, i.e., modeling an individual-level prediction task based on a hierarchical structure with multiple intertwined events. In this paper, we provide an in-depth analysis of the underlying parse tree-like structure involved in the effect prediction task and we further establish a Hierarchical Capsule Prediction Network (HapNet) for predicting the effects of marketing campaigns. Extensive results based on both the synthetic data and real data demonstrate the superiority of our model over the state-of-the-art methods and show remarkable practicability in real industrial applications.  ( 2 min )

The quality of Artificial Intelligence (AI) algorithms is of significant importance for confidently adopting algorithms in various applications such as cybersecurity, healthcare, and autonomous driving. This work presents a principled framework of using a design-of-experimental approach to systematically evaluate the quality of AI algorithms, named as Do-AIQ. Specifically, we focus on investigating the quality of the AI mislabel data algorithm against data poisoning. The performance of AI algorithms is affected by hyperparameters in the algorithm and data quality, particularly, data mislabeling, class imbalance, and data types. To evaluate the quality of the AI algorithms and obtain a trustworthy assessment on the quality of the algorithms, we establish a design-of-experiment framework to construct an efficient space-filling design in a high-dimensional constraint space and develop an effective surrogate model using additive Gaussian process to enable the emulation of the quality of AI algorithms. Both theoretical and numerical studies are conducted to justify the merits of the proposed framework. The proposed framework can set an exemplar for AI algorithm to enhance the AI assurance of robustness, reproducibility, and transparency.  ( 2 min )

Probabilistic modeling of multidimensional spatiotemporal data is critical to many real-world applications. However, real-world spatiotemporal data often exhibits complex dependencies that are nonstationary, i.e., correlation structure varies with location/time, and nonseparable, i.e., dependencies exist between space and time. Developing effective and computationally efficient statistical models to accommodate nonstationary/nonseparable processes containing both long-range and short-scale variations becomes a challenging task, especially for large-scale datasets with various corruption/missing structures. In this paper, we propose a new statistical framework -- Bayesian Complementary Kernelized Learning (BCKL) -- to achieve scalable probabilistic modeling for multidimensional spatiotemporal data. To effectively describe complex dependencies, BCKL integrates kernelized low-rank factorization with short-range spatiotemporal Gaussian processes (GP), in which the two components complement each other. Specifically, we use a multi-linear low-rank factorization component to capture the global/long-range correlations in the data and introduce an additive short-scale GP based on compactly supported kernel functions to characterize the remaining local variabilities. We develop an efficient Markov chain Monte Carlo (MCMC) algorithm for model inference and evaluate the proposed BCKL framework on both synthetic and real-world spatiotemporal datasets. Our results confirm the superior performance of BCKL in providing accurate posterior mean and high-quality uncertainty estimates.  ( 2 min )

The advantages and difficulties of application of Pad\'e approximants to two-dimensional regression analysis are discussed. New formulation of residuals is suggested in the method of least squares. It leads to a system of linear equations in case of rational functions. The possibility of using Tikhonov regularization technique to avoid overfitting is demonstrated in this approach. To illustrate the efficiency of the suggested method, several practical cases from physics and reliability theory are considered.  ( 2 min )

Time series models often deal with extreme events and anomalies, both prevalent in real-world datasets. Such models often need to provide careful probabilistic forecasting, which is vital in risk management for extreme events such as hurricanes and pandemics. However, it is challenging to automatically detect and learn to use extreme events and anomalies for large-scale datasets, which often require manual effort. Hence, we propose an anomaly-aware forecast framework that leverages the previously seen effects of anomalies to improve its prediction accuracy during and after the presence of extreme events. Specifically, the framework automatically extracts anomalies and incorporates them through an attention mechanism to increase its accuracy for future extreme events. Moreover, the framework employs a dynamic uncertainty optimization algorithm that reduces the uncertainty of forecasts in an online manner. The proposed framework demonstrated consistent superior accuracy with less uncertainty on three datasets with different varieties of anomalies over the current prediction models.  ( 2 min )

Recent works have demonstrated a double descent phenomenon in over-parameterized learning: as the number of model parameters increases, the excess risk has a $\mathsf{U}$-shape at beginning, then decreases again when the model is highly over-parameterized. Although this phenomenon has been investigated by recent works under different settings such as linear models, random feature models and kernel methods, it has not been fully understood in theory. In this paper, we consider a double random feature model (DRFM) consisting of two types of random features, and study the excess risk achieved by the DRFM in ridge regression. We calculate the precise limit of the excess risk under the high dimensional framework where the training sample size, the dimension of data, and the dimension of random features tend to infinity proportionally. Based on the calculation, we demonstrate that the risk curves of DRFMs can exhibit triple descent. We then provide an explanation of the triple descent phenomenon, and discuss how the ratio between random feature dimensions, the regularization parameter and the signal-to-noise ratio control the shape of the risk curves of DRFMs. At last, we extend our study to the multiple random feature model (MRFM), and show that MRFMs with $K$ types of random features may exhibit $(K+1)$-fold descent. Our analysis points out that risk curves with a specific number of descent generally exist in random feature based regression. Another interesting finding is that our result can recover the risk peak locations reported in the literature when learning neural networks are in the "neural tangent kernel" regime.  ( 3 min )

Given independent standard Gaussian points $v_1, \ldots, v_n$ in dimension $d$, for what values of $(n, d)$ does there exist with high probability an origin-symmetric ellipsoid that simultaneously passes through all of the points? This basic problem of fitting an ellipsoid to random points has connections to low-rank matrix decompositions, independent component analysis, and principal component analysis. Based on strong numerical evidence, Saunderson, Parrilo, and Willsky [Proc. of Conference on Decision and Control, pp. 6031-6036, 2013] conjecture that the ellipsoid fitting problem transitions from feasible to infeasible as the number of points $n$ increases, with a sharp threshold at $n \sim d^2/4$. We resolve this conjecture up to logarithmic factors by constructing a fitting ellipsoid for some $n = \Omega( \, d^2/\log^5(d) \,)$, improving prior work of Ghosh et al. [Proc. of Symposium on Foundations of Computer Science, pp. 954-965, 2020] that requires $n = o(d^{3/2})$. Our proof demonstrates feasibility of the least squares construction of Saunderson et al. using a careful analysis of the eigenvectors and eigenvalues of a certain non-standard random matrix.  ( 2 min )

The increasing popularity of the federated learning framework due to its success in a wide range of collaborative learning tasks also induces certain security concerns regarding the learned model due to the possibility of malicious clients participating in the learning process. Hence, the objective is to neutralize the impact of the malicious participants and to ensure the final model is trustable. One common observation regarding the Byzantine attacks is that the higher the variance among the clients' models/updates, the more space for attacks to be hidden. To this end, it has been recently shown that by utilizing momentum, thus reducing the variance, it is possible to weaken the strength of the known Byzantine attacks. The Centered Clipping framework (ICML 2021) has further shown that, besides reducing the variance, the momentum term from the previous iteration can be used as a reference point to neutralize the Byzantine attacks and show impressive performance against well-known attacks. However, in the scope of this work, we show that the centered clipping framework has certain vulnerabilities, and existing attacks can be revised based on these vulnerabilities to circumvent the centered clipping defense. Hence, we introduce a strategy to design an attack to circumvent the centered clipping framework and numerically illustrate its effectiveness against centered clipping as well as other known defense strategies by reducing test accuracy to 5-40 on best-case scenarios.  ( 3 min )

The Cox proportional hazards model is a canonical method in survival analysis for prediction of the life expectancy of a patient given clinical or genetic covariates -- it is a linear model in its original form. In recent years, several methods have been proposed to generalize the Cox model to neural networks, but none of these are both numerically correct and computationally efficient. We propose FastCPH, a new method that runs in linear time and supports both the standard Breslow and Efron methods for tied events. We also demonstrate the performance of FastCPH combined with LassoNet, a neural network that provides interpretability through feature sparsity, on survival datasets. The final procedure is efficient, selects useful covariates and outperforms existing CoxPH approaches.  ( 2 min )

Sketch-and-project is a framework which unifies many known iterative methods for solving linear systems and their variants, as well as further extensions to non-linear optimization problems. It includes popular methods such as randomized Kaczmarz, coordinate descent, variants of the Newton method in convex optimization, and others. In this paper, we obtain sharp guarantees for the convergence rate of sketch-and-project methods via new tight spectral bounds for the expected sketched projection matrix. Our estimates reveal a connection between the sketch-and-project convergence rate and the approximation error of another well-known but seemingly unrelated family of algorithms, which use sketching to accelerate popular matrix factorizations such as QR and SVD. This connection brings us closer to precisely quantifying how the performance of sketch-and-project solvers depends on their sketch size. Our analysis covers not only Gaussian and sub-gaussian sketching matrices, but also a family of efficient sparse sketching methods known as LESS embeddings. Our experiments back up the theory and demonstrate that even extremely sparse sketches show the same convergence properties in practice.  ( 2 min )

As graph data becomes more ubiquitous, the need for robust inferential graph algorithms to operate in these complex data domains is crucial. In many cases of interest, inference is further complicated by the presence of adversarial data contamination. The effect of the adversary is frequently to change the data distribution in ways that negatively affect statistical and algorithmic performance. We study this phenomenon in the context of vertex nomination, a semi-supervised information retrieval task for network data. Here, a common suite of methods relies on spectral graph embeddings, which have been shown to provide both good algorithmic performance and flexible settings in which regularization techniques can be implemented to help mitigate the effect of an adversary. Many current regularization methods rely on direct network trimming to effectively excise the adversarial contamination, although this direct trimming often gives rise to complicated dependency structures in the resulting graph. We propose a new trimming method that operates in model space which can address both block structure contamination and white noise contamination (contamination whose distribution is unknown). This model trimming is more amenable to theoretical analysis while also demonstrating superior performance in a number of simulations, compared to direct trimming.  ( 2 min )

Bandit algorithms are widely used in sequential decision problems to maximize the cumulative reward. One potential application is mobile health, where the goal is to promote the user's health through personalized interventions based on user specific information acquired through wearable devices. Important considerations include the type of, and frequency with which data is collected (e.g. GPS, or continuous monitoring), as such factors can severely impact app performance and users' adherence. In order to balance the need to collect data that is useful with the constraint of impacting app performance, one needs to be able to assess the usefulness of variables. Bandit feedback data are sequentially correlated, so traditional testing procedures developed for independent data cannot apply. Recently, a statistical testing procedure was developed for the actor-critic bandit algorithm. An actor-critic algorithm maintains two separate models, one for the actor, the action selection policy, and the other for the critic, the reward model. The performance of the algorithm as well as the validity of the test are guaranteed only when the critic model is correctly specified. However, misspecification is frequent in practice due to incorrect functional form or missing covariates. In this work, we propose a modified actor-critic algorithm which is robust to critic misspecification and derive a novel testing procedure for the actor parameters in this case.  ( 3 min )

Representation learning often plays a critical role in reinforcement learning by managing the curse of dimensionality. A representative class of algorithms exploits a spectral decomposition of the stochastic transition dynamics to construct representations that enjoy strong theoretical properties in an idealized setting. However, current spectral methods suffer from limited applicability because they are constructed for state-only aggregation and derived from a policy-dependent transition kernel, without considering the issue of exploration. To address these issues, we propose an alternative spectral method, Spectral Decomposition Representation (SPEDER), that extracts a state-action abstraction from the dynamics without inducing spurious dependence on the data collection policy, while also balancing the exploration-versus-exploitation trade-off during learning. A theoretical analysis establishes the sample efficiency of the proposed algorithm in both the online and offline settings. In addition, an experimental investigation demonstrates superior performance over current state-of-the-art algorithms across several benchmarks.  ( 2 min )

Basically,i have a dataframe with 3 columns,a complain ,a reason (both text) and a label which is 1 if both complain and reason agree to each other 0 otherwise. Now,in the training set only positive samples ,that is ,samples with label 1 are present . How do I deal with this? P.S.-Until now i have used sentence BERT in conjunction with cosine similarity to get the similarity between complaint and reason.But are there any better methods.It is for an assignment so I cannot exactly just show the 10 line program of using pretrained bert with cosine similarity. submitted by /u/enkrish258 [link] [comments]  ( 89 min )

I go over how to use RLlib for your project. It is particularly good for multiagent systems. I also briefly summarize 120 years of reinforcement learning. There is a link to the GitHub code to follow along. https://deumbra.com/2022/08/rllib-for-deep-hierarchical-multiagent-reinforcement-learning/ submitted by /u/jmugan [link] [comments]  ( 88 min )

What are some ways that you explain variable importance when using black box models like neural networks or gradient boosted trees? I've been using a combination of Shapley additive explanations and correlation plots to narrow down the results. Granted I know SHAP isn't inferential by any means, and there must be a better method out there. Would it be prudent to use another more inferential model alongside your neural net to help with variable importance? Or would that not be helpful at all? submitted by /u/ethantenison [link] [comments]  ( 89 min )

I am currently working on a problem where we have an extreme class imbalance and I am evaluating different evaluation metrics. The rather interesting observation that I am seeing is that some models yield a smaller brier score but yield very, very low probabilities for the positive class. Are there alternative metrics that could be better suited for this problem? submitted by /u/martin1285 [link] [comments]  ( 91 min )

Recently, I was trying to explain how neural networks work to my mother but I couldn't go beyond the usual trope of inputs, hidden layers, and outputs. It lead me to question my understanding of the topic despite reading about it umpteen times. So, I decided to code the entire network using only Numpy w/o using any fancy frameworks such as Keras, Tensorflow, or PyTorch. It took me a while to figure out the maths for backpropagation but the exercise as a whole was rewarding. You can read about the entire experiment in the medium article here: https://towardsdatascience.com/can-you-code-a-neural-network-using-only-high-school-mathematics-ac9ad80f52f7 The notebook is present at https://www.kaggle.com/code/prashantmudgal/mnist-neural-network-from-scratch Please feel free to reach out in case of any questions. submitted by /u/prashantmdgl9 [link] [comments]  ( 89 min )

This tech talk focuses on AI-powered processing at the edge. By running models on edge devices, you can reduce latency, increase security, while improving processing speeds. Learn how you can get started running AI models on thousands of devices from a central location using Modzy Edge. We demonstrate how you can run a computer vision model on an NVIDIA Jetson Nano to process video in real-time, and share an example of an ML model analyzing data from atmospheric sensors. submitted by /u/modzykirsten [link] [comments]  ( 89 min )

I don't think we talk enough about how to create good data. Models and even deployments are more sexy than data creation, let's change this! Here's my conceptual framework for data creation: ​ define success in business terms map the data with stakeholders for buy in rapid prototype from data to deployment iterate on dataset creation Techniques to get more data bang for buck: ​ weak supervision active learning Considerations around dataset creation: ​ in-house vs crowdsourcing Tool recommendations My cookbook for data creation Defining success in business terms A good dataset is one that creates business value. Making sure stakeholders, domain experts, and engineers are on the same page is hard. I find sharing a mock of the model and data can really help move st…  ( 93 min )

EMNP 2022 reviews will be out soon. Good Luck !!! Discussion submitted by /u/errohan400 [link] [comments]  ( 88 min )

In case you haven't noticed, stability.ai just open-sourced their latest version of StableDiffusion to the public. Here is the link: https://stability.ai/blog/stable-diffusion-public-release It is so fast and small (memory footprint) that it can run on consumer grade GPUs. I just generated my first "astronaut riding a horse on mars" on my local GTX3090. Astronaut riding a horse on mars So what is opinion on open-sourcing such powerful models ? And, what do you think about stability.ai as an organisation ? Do you feel they can potentially be the next OpenAI ? submitted by /u/dasayan05 [link] [comments]  ( 91 min )

The project interests me, but I don't know how to start it, and then we could deploy it with a drone. My background in computer vision and machine learning is acceptable. I've trained a model to detect objects using YOLOV5 before, but I don't know how to start the project... if you're interested, please contact me. submitted by /u/meltingicecreem [link] [comments]  ( 89 min )

Hi everyone, a few years ago I passed the DP-100: Designing and Implementing a Data Science Solution on Azure. It’s expired and recently I've decided that I will take the exam again. I went through my old emails to find the study materials which helped me pass the first time. One of the links in my email was a YouTube video. In the video there is a reference to something called the "Desperation Index". Apparently, this speaker worked with a team, in a consulting role, that had created a model that allowed them to qualify a loan in 4 minutes. I guess the client was a lender. The client then told him that they have their own method to evaluate risk which they call the Desperation Index and they wanted it to be incorporated into the model. The Desperation Index basically measures how desperate someone is for a loan. It tracks how often you call to check the status of a loan application or how often you check the website in a 24-hour period. Checking the status too often, is a red flag to the lender and can have your loan denied. This doesn’t seem ethical, fair, or scientific. How can you distinguish between excitement and desperation? How would they build this into a machine learning model? Just a supervised learning model with an extra feature with a count of how often you contacted the lender? Also, does anyone know which lenders use machine learning models with the desperation index or something similar? Edit: Whoops, I forgot to include the video. Skip to 17:28 https://www.youtube.com/watch?v=mM5o14i_BCM ​ Thanks, submitted by /u/Hadrami1 [link] [comments]  ( 95 min )

We find content online is very much centered around the model building but does not focus on the before/after especially when it comes to productionizing it. The content that is out there is very fragmented, theoretical, and also not representative of tooling used in companies today. Also there is no content on typical problems companies have run into while implementing there solutions. How have you and your team been trying/implementing architecture? What are you using as a framework? We have started collecting content from friends at large companies trying to address the problems that others might run into. It would be great to get some feedback. You can check out the content here (Use the code: RFG7E29 to get to it for free). submitted by /u/mike157_za [link] [comments]  ( 108 min )

Are there any papers around the ethics/research of distillation on models trained on private datasets? (Or known occurrences where datasets have been stolen?) it would seem that if you have a proprietary dataset and you train a model A on it, you might be able to "steal" the dataset by training a model B on model's A predictions. Could imagine this happening in industry, with the proliferation of proprietary models. submitted by /u/unsolved_integral [link] [comments]  ( 91 min )

Webpage: https://gaze-meets-ml.github.io/ Submission site: https://openreview.net/group?id=NeurIPS.cc/2022/Workshop/GMML Submission deadline: September 22nd, 2022 Date: December 3rd, 2022 Location: New Orleans Convention Center, New Orleans, LA ​ Eye gaze has proven to be a cost-efficient way to collect large-scale physiological data that can reveal the underlying human attentional patterns in real life workflows, and thus has long been explored as a signal to directly measure human-related cognition in various domains Physiological data (including but not limited to eye gaze) offer new perception capabilities, which could be used in several ML domains, e.g., egocentric perception, embodiedAI, NLP, etc. They can help infer human perception, intentions, beliefs, goals and other cognition properties that are much needed for human-AI interactions and agent coordination. In addition, large collections of eye-tracking data have enabled data-driven modeling of human visual attention mechanisms, both for saliency or scanpath prediction, with twofold advantages: from the neuroscientific perspective to understand biological mechanisms better, from the AI perspective to equip agents with the ability to mimic or predict human behavior and improve interpretability and interactions. With the emergence of immersive technologies, now more than any time there is a need for experts of various backgrounds (e.g., machine learning, vision, and neuroscience communities) to share expertise and contribute to a deeper understanding of the intricacies of cost-efficient human supervision signals (e.g., eye-gaze) and their utilization towards by bridging human cognition and AI in machine learning research and development. The goal of this workshop is to bring together an active research community to collectively drive progress in defining and addressing core problems in gaze-assisted machine learning. submitted by /u/hawkeyedesi [link] [comments]  ( 114 min )

Thread: https://twitter.com/otter_collapse/status/1561445156246753280?cxt=HHwWgMC8pZiGr6srAAAA Post: https://bycn.github.io/2022/08/19/project-nabla-writeup.html (technical writeup coming soon!) Project Nabla is an AI trained with deep neural networks using behavioral cloning and deep reinforcement learning self-play, similar to AlphaStar. It is enabled by the recent launch of a suite of software tools for the game known as "Slippi" which allow for us to save human replays. We train on a subset of ~100k tournament games. It is similar to the older Phillip project, which did not have the benefit of Slippi when it was created (and doesn't use any human replays). On the research side, many are concerned that enforcing a slower human reaction time is necessary for the AI to be "fair". Here we find that the prior of the imitation policy and using a light amount of RL fine tuning makes for convincing human-like AIs even with no delays. Of course, it does remain a difficult question how to preserve this as you make the agent stronger with more RL. An older paper by Vlad Firoui attacked this problem to some success https://arxiv.org/abs/1810.07286 https://www.youtube.com/watch?v=zHtgqxRxqYg There is much possible future work and Melee as a game for research is exciting! For those who are already fans of the game, you can play against it now at https://twitch.tv/rakkob submitted by /u/otter_collapse [link] [comments]  ( 111 min )

I would love to hear about conferences where they emphasize the productization of ML models and real-life problems. submitted by /u/gabegabe6 [link] [comments]  ( 90 min )

submitted by /u/landongarrison [link] [comments]  ( 88 min )

submitted by /u/Illustrious_Row_9971 [link] [comments]  ( 91 min )

submitted by /u/spincycle27 [link] [comments]  ( 90 min )

submitted by /u/PixelzJ [link] [comments]  ( 90 min )

This tech talk focuses on AI-powered processing at the edge. Learn how you can get started running AI models on thousands of devices from a central location using Modzy Edge. By running models on edge devices, you can reduce latency, increase security, while improving processing speeds. We demonstrate how you can run a computer vision model on an NVIDIA Jetson Nano to process video in real-time, and share an example of an ML model analyzing data from atmospheric sensors. submitted by /u/modzykirsten [link] [comments]  ( 87 min )

submitted by /u/pixelz_ai [link] [comments]  ( 87 min )

submitted by /u/yahma [link] [comments]  ( 87 min )

10 years ago I had the idea to write a children’s book about the joy and difficulties of building something; That idea was there but the hassle and cost of illustration always prevented me from finishing the book. Recently, Dall-E was launched and I excitedly used it for my children's book illustrations. You can see the result and also issues I faced such as maintaining a consistent art style and face removal. https://medium.com/@rwanghacker/creating-and-illustrating-a-childrens-book-with-dall-e-in-less-than-a-week-813ee85f2225 submitted by /u/nychacker [link] [comments]  ( 87 min )

submitted by /u/bobitazia [link] [comments]  ( 92 min )

submitted by /u/bendee983 [link] [comments]  ( 87 min )

I’d like to have a virtual personal assistant/companion/chatbot for my PC/Studio that: can perform at least some of the kind of tasks that Siri etc can (Google searches, music, reminders, etc) can hold an actual decently convincing conversation, the more personality the better, and can remember details between chats. will allow me to add a custom command to pull a random item from a list in a text document and read it out, with a custom voice command set to activate this Will allow me to name/refer to it however I like Can do voice recognition and TTS Is uncensored and able to discuss and research adult content Happy to pay, or if this doesn’t already exist together in one bot, how hard/costly would it be for me to either hire someone to make or take on myself as a long project and learn to build? Could folks please point me in a starting direction? Edit: it looks like I may be able to achieve what I want with UltraHal once I’ve learned it better Thanks so much for your time! submitted by /u/ZytaLyonne [link] [comments]  ( 96 min )

Imagine if we somehow managed to create an aligned super intelligence and had a genuine shot at Utopia. What would you want that world to look like? I'm working on a Utopiaography project, and I'd love to hear what you guys think. submitted by /u/LondonIsButOneCity [link] [comments]  ( 89 min )

submitted by /u/BiasedVariance [link] [comments]  ( 87 min )

submitted by /u/evangelart [link] [comments]  ( 88 min )

submitted by /u/RubiksCodeNMZ [link] [comments]  ( 87 min )

submitted by /u/Sqchinthq [link] [comments]  ( 87 min )

submitted by /u/TheZephyr2003 [link] [comments]  ( 88 min )

submitted by /u/PerformanceHopeful15 [link] [comments]  ( 87 min )

A lot of work in RL goes into reducing the variance of the critic, which I take primarily to mean that the sample complexity of computing the expected value of the critic under the policy distribution is lower. My question is this: I understand why lowering the critic’s variance gives higher quality policy gradients, in the sense that the update will be more likely to improve the value estimated by the critic, but does having lower variance mean anything regarding whether these “higher quality” gradients are more accurate in the first place? Mostly, I’m wondering if having lower variance (assuming that the critic we are using can learn a model of the true value function that has negligible bias) actually helps the critic learn faster? submitted by /u/vandelay_inds [link] [comments]  ( 88 min )

Hi, I am interested in model-based reinforcement learning and have a general question concerning Dyna-like MBRL algorithms (Dyna, MBPO, SimPLe, ...). Each of these algorithms uses a world model to generate samples that replace interactions with the real environment. The samples are then stored in a replay buffer and later used to update a model-free policy (SAC, PPO, ...). These algorithms generally use an encoder-decoder world model, i.e., a model that learns to encode observations to a compact latent state and later recovers the information with the decoder. These latent states are typically of lower dimensionality and therefore often better suited as inputs to the agent. Why do the algorithms typically store the decoded observations in the replay buffer? Couldn't we store the latent states and use them as inputs to the agent? What would be the trade-offs? submitted by /u/Internal-Brush4929 [link] [comments]  ( 107 min )

Is there any study on the use of Elo ratings as rewards in RL? I am looking at this kind of situation: I want to train an agent to play Pokémon. For simplicity, let's assume that the battles are 1v1 (no swaps or whatever). Naturally, some Pokémon are going to be stronger than others on average: a Mewtwo is far stronger than a Magikarp, for example. Given that, I want to assign different rewards to the winner: if Mewtwo wins against Magikarp, that is no big deal. However, if the opposite happens, something went horribly wrong and should be avoided. But how do I model that without knowing who is stronger beforehand? That's what I want to represent with Elo --- at first, everyone would start with the same scores, but over the course of training things should fall into place (ideally). submitted by /u/burning-ship [link] [comments]  ( 105 min )

submitted by /u/HowlHouse123 [link] [comments]  ( 106 min )

Due to domain issues, the up-to-date documentation for Gym is now hosted at https://gymlibrary.dev The documentation is maintained by the Farama Foundation on GitHub, and contributions are always welcome! The best way to get in touch with the team is on the Discord server submitted by /u/RedTachyon [link] [comments]  ( 87 min )

I want to find cool new papers, but I'm not sure where to look. Is there a website that could recommend me new papers to read? If not, how do you all find rl papers? submitted by /u/himty [link] [comments]  ( 88 min )

Hey, If I have a state in a MuJoCo environment would the equivalent state in the Py-Bullet environment be represented the same way value-wise? submitted by /u/Dragonrooster [link] [comments]  ( 87 min )

Hi all, I've built a custom env that I have registered as per Gym documentation, so I can now create an instance of it using its ID and the gym.make() function. I use assets for the env (meshes of various 3D objects) and I'm wondering where I am suppose to store such assets in relation to the registered env? I can't find any examples online or anything in the documentation... can someone help me out? 🙏🏽 I'm getting a "segmentation fault (core dumped)" and I'm wondering if it's due to this. Cheers! submitted by /u/leozinho2r [link] [comments]  ( 88 min )

Recently, I was trying to explain how neural networks work to my mother but I couldn't go beyond the usual trope of inputs, hidden layers, and outputs. It lead me to question my understanding of the topic despite reading about it umpteen times. So, I decided to code the entire network using only Numpy w/o using any fancy frameworks such as Keras, Tensorflow, or PyTorch. It took me a while to figure out the maths for backpropagation but the exercise as a whole was rewarding. You can read about the entire experiment in the medium article here: https://towardsdatascience.com/can-you-code-a-neural-network-using-only-high-school-mathematics-ac9ad80f52f7 The notebook is present at https://www.kaggle.com/code/prashantmudgal/mnist-neural-network-from-scratch Please feel free to reach out in case of any questions. submitted by /u/prashantmdgl9 [link] [comments]  ( 90 min )

submitted by /u/HowlHouse123 [link] [comments]  ( 87 min )

submitted by /u/JoshuaDaD [link] [comments]  ( 87 min )

submitted by /u/RubiksCodeNMZ [link] [comments]  ( 87 min )

Blockchain appears to be establishing the foundation of a new economic system, though significant challenges remain. The post Blockchain Technology: The Potential to Change the Future appeared first on Data Science Central.  ( 20 min )

Building machine learning projects can give you a much more comprehensive education about how they work. The post Top 10 Projects for Data Science and Machine Learning appeared first on Data Science Central.  ( 26 min )

Knowledge management is refactoring the way that organizations work. The post How Knowledge Management Can Reshape Business Operations appeared first on Data Science Central.  ( 19 min )

Application refactoring can often be radically simplified by using cloud components. The post Application Refactoring: All You Need to Know appeared first on Data Science Central.  ( 18 min )

While Knowledge Graph hype is nowhere near as loud as AI hype, there is no question that more and more organizations are turning to knowledge graphs to solve real-world problems. The post From Knowledge Graphs To Knowledge Portals appeared first on Data Science Central.  ( 22 min )

Artificial intelligence is concerned with finding ways for computers to perform the same functions as humans. However, computers cannot make decisions on their own, i.e., they cannot make decisions without human intervention. The ability of computers to make decisions with their own intelligence makes machines operate and think like machines, which is what, in general… Read More »Five AI applications That Are Changing Our World The post Five AI applications That Are Changing Our World appeared first on Data Science Central.  ( 20 min )

For a long time, Gary Marcus was a lonely voice in favour of symbolic(more specifically hybrid) AI models Recent events seem to have emboldened his view The debate is significant because it has implications for the future of AI Introduction From the dawn of AI, the debate between symbolic vs neural network approaches of AI… Read More »Watching the Shift Towards More Symbolic AGI The post Watching the Shift Towards More Symbolic AGI appeared first on Data Science Central.  ( 18 min )

The ability to convert text to speech in meaningful, realistic ways is transforming how we interact with computer systems and one another. The post A Guide To How Text-To-Speech Works appeared first on Data Science Central.  ( 19 min )

Every now and then, a conversation with my kids goes off the rails.  And this was one of those conversations.  We tend to have unusual conversations ranging from “Is Big Foot from outer space (like Predator)?” to “If man evolved from monkeys, then why are there still monkeys?” And here is our latest conversation: Is… Read More »Is God an Economist? The post Is God an Economist? appeared first on Data Science Central.  ( 21 min )

Europe is facing one of the worst droughts in recent history. More than 60 percent of the EU and UK are trying to fight this climatic event, the effects of which are far-reaching. The post Capturing Methane appeared first on Data Science Central.  ( 19 min )

Amazon Kendra is an intelligent search service powered by machine learning (ML). With Amazon Kendra, you can easily aggregate content from a variety of content repositories into a centralized index that lets you quickly search all your enterprise data and find the most accurate answer. Many organizations use the content management platform Alfresco to store […]  ( 5 min )

An MIT-developed device with the appearance of a Wi-Fi router uses a neural network to discern the presence and severity of one of the fastest-growing neurological diseases in the world.  ( 6 min )

Workspace security can be a fiddly money drain, especially for corporations that deal with sensitive information, or run multiple offices…  ( 19 min )

Watching out for the nearly-extinct two-ton beasts may be the ultimate example of a job best done remotely. The post An AI-Enabled Drone Could Soon Become Every Rhino Poacher’s… Horn Enemy appeared first on NVIDIA Blog.  ( 7 min )

Lithium-ion batteries are powering the ongoing transportation electrification revolution. Lithium-ion batteries possess higher energy density and favourable electrochemical properties which make it a preferable energy source for electric vehicles. Precise estimation of battery parameters (Charge capacity, voltage etc) is vital to estimate the available range in an electric vehicle. Graph-based estimation techniques enable us to understand the variable dependencies underpinning them to improve estimates. In this paper we employ Graph Neural Networks for battery parameter estimation, we introduce a unique graph autoencoder time series estimation approach. Variables in battery measurements are known to have an underlying relationship with each other in a certain correlation within variables of interest. We use graph autoencoder based on a non-linear version of NOTEARS as this allowed us to perform gradient-descent in learning the structure (instead of treating it as a combinatorial optimisation problem). The proposed architecture outperforms the state-of-the-art Graph Time Series (GTS) architecture for battery parameter estimation. We call our method GAETS (Graph AutoEncoder Time Series).  ( 2 min )

Choice modeling has been a central topic in the study of individual preference or utility across many fields including economics, marketing, operations research, and psychology. While the vast majority of the literature on choice models has been devoted to the analytical properties that lead to managerial and policy-making insights, the existing methods to learn a choice model from empirical data are often either computationally intractable or sample inefficient. In this paper, we develop deep learning-based choice models under two settings of choice modeling: (i) feature-free and (ii) feature-based. Our model captures both the intrinsic utility for each candidate choice and the effect that the assortment has on the choice probability. Synthetic and real data experiments demonstrate the performances of proposed models in terms of the recovery of the existing choice models, sample complexity, assortment effect, architecture design, and model interpretation.  ( 2 min )

State-of-the-art machine-learning based models are a popular choice for modelling and forecasting energy behaviour in buildings because given enough data, they are good at finding spatiotemporal patterns and structures even in scenarios where the complexity prohibits analytical descriptions. However, machine-learning based models for building energy forecasting have difficulty generalizing to out-of-sample scenarios that are not represented in the data because their architecture typically does not hold physical correspondence to mechanistic structures linked with governing phenomena of energy transfer. Thus, their ability to forecast for unseen initial conditions and boundary conditions wholly depends on the representativeness in the data, which is not guaranteed in building measurement data. Consequently, these limitations impede their application to real-world engineering applications such as energy management in Digital Twins. In response, we present a Domain Adaptation framework that aims to leverage well-known understanding of phenomenon governing energy behavior in buildings to forecast for out of sample scenarios beyond building measurement data. More specifically, we represent mechanistic knowledge of energy behavior using low-rank linear time-invariant state space models and subsequently leverage their governing structure to forecast for a target energy system for which only building measurement data is available. We achieve this by aligning the Physics-derived subspace that governs global state space behavior closer towards the target subspace derived from the measurement data. In this initial exploration we focus on linear energy systems; we test the subspace-based DA framework on a 1D heat conduction scenario by varying the thermophysical properties of the source and target systems to demonstrate the transferability of mechanistic models from Physics to measurement data.  ( 3 min )

Privacy regulation laws, such as GDPR, impose transparency and security as design pillars for data processing algorithms. In this context, federated learning is one of the most influential frameworks for privacy-preserving distributed machine learning, achieving astounding results in many natural language processing and computer vision tasks. Several federated learning frameworks employ differential privacy to prevent private data leakage to unauthorized parties and malicious attackers. Many studies, however, highlight the vulnerabilities of standard federated learning to poisoning and inference, thus, raising concerns about potential risks for sensitive data. To address this issue, we present SGDE, a generative data exchange protocol that improves user security and machine learning performance in a cross-silo federation. The core of SGDE is to share data generators with strong differential privacy guarantees trained on private data instead of communicating explicit gradient information. These generators synthesize an arbitrarily large amount of data that retain the distinctive features of private samples but differ substantially. We show how the inclusion of SGDE into a cross-silo federated network improves resilience to the most influential attacks to federated learning. We test our approach on images and tabular datasets, exploiting beta-variational autoencoders as data generators and highlighting fairness and performance improvements over local and federated learning on non-generated data.  ( 3 min )

We consider the fixed-budget best-arm identification problem with Normal reward distributions. In this problem, the forecaster is given $K$ arms (or treatments) and $T$ time steps. The forecaster attempts to find the best arm, defined by the largest mean, via an adaptive experiment conducted using an algorithm. The algorithm's performance is measured by the simple regret, that is, the quality of the estimated best arm. The frequentist simple regret can be exponentially small to $T$, whereas the Bayesian simple regret is polynomially small to $T$. This paper demonstrates that Bayes optimal algorithm, which minimizes the Bayesian simple regret, does not produce an exponential simple regret for some parameters, a finding that contrasts with the many results indicating the asymptotic equivalence of Bayesian and frequentist algorithms in the context of fixed sampling regimes. While the Bayes optimal algorithm is described in terms of a recursive equation that is virtually impossible to compute exactly, we establish the foundations for further analysis by introducing a key quantity that we call the expected Bellman improvement.  ( 2 min )

Federated learning (FL) is a framework for machine learning across heterogeneous client devices in a privacy-preserving fashion. To date, most FL algorithms learn a "global" server model across multiple rounds. At each round, the same server model is broadcast to all participating clients, updated locally, and then aggregated across clients. In this work, we propose a more general procedure in which clients "select" what values are sent to them. Notably, this allows clients to operate on smaller, data-dependent slices. In order to make this practical, we outline a primitive, federated select, which enables client-specific selection in realistic FL systems. We discuss how to use federated select for model training and show that it can lead to drastic reductions in communication and client memory usage, potentially enabling the training of models too large to fit on-device. We also discuss the implications of federated select on privacy and trust, which in turn affect possible system constraints and design. Finally, we discuss open questions concerning model architectures, privacy-preserving technologies, and practical FL systems.

Landslides are notoriously difficult to predict because numerous spatially and temporally varying factors contribute to slope stability. Artificial neural networks (ANN) have been shown to improve prediction accuracy. However, traditional ANNs are uninterpretable, complex black box models. This makes it difficult to extract mechanistic information about landslide controls in the modeled region or trust the outcome in this high-stakes application. Herein we present the first application of an interpretable additive neural network to landslide susceptibility modeling. We introduce a new additive ANN optimization framework, as well as new dataset division and outcome interpretation techniques uniquely suitable for modeling applications with spatially dependent data structures such as landslide susceptibility. We refer to our approach which features full interpretability, high accuracy, high generalizability and low model complexity as superposable neural network (SNN) optimization. We validate our approach by training models to assess landslide susceptibility in three different regions of the easternmost Himalaya that are highly susceptible to landslides. The interpretable neural network models generated by the SNN outperform physically-based stability and statistical models and achieve similar performance to state-of the-art deep neural networks while offering insight regarding the relative importance of landslide control factors. The SNN models found the product of slope and precipitation and hillslope aspect to be important primary contributors to high landslide susceptibility in the studied regions. These identified controls suggest that strong slope-climate couplings, along with microclimates, play dominant roles in landslide occurrences of the easternmost Himalaya.

Grammatical Error Correction (GEC) systems perform a sequence-to-sequence task, where an input word sequence containing grammatical errors, is corrected for these errors by the GEC system to output a grammatically correct word sequence. With the advent of deep learning methods, automated GEC systems have become increasingly popular. For example, GEC systems are often used on speech transcriptions of English learners as a form of assessment and feedback - these powerful GEC systems can be used to automatically measure an aspect of a candidate's fluency. The count of \textit{edits} from a candidate's input sentence (or essay) to a GEC system's grammatically corrected output sentence is indicative of a candidate's language ability, where fewer edits suggest better fluency. The count of edits can thus be viewed as a \textit{fluency score} with zero implying perfect fluency. However, although deep learning based GEC systems are extremely powerful and accurate, they are susceptible to adversarial attacks: an adversary can introduce a small, specific change at the input of a system that causes a large, undesired change at the output. When considering the application of GEC systems to automated language assessment, the aim of an adversary could be to cheat by making a small change to a grammatically incorrect input sentence that conceals the errors from a GEC system, such that no edits are found and the candidate is unjustly awarded a perfect fluency score. This work examines a simple universal substitution adversarial attack that non-native speakers of English could realistically employ to deceive GEC systems used for assessment.

Unmanned Aerial Vehicles (UAVs) are used as aerial base-stations to relay time-sensitive packets from IoT devices to the nearby terrestrial base-station (TBS). Scheduling of packets in such UAV-relayed IoT-networks to ensure fresh (or up-to-date) IoT devices' packets at the TBS is a challenging problem as it involves two simultaneous steps of (i) sampling of packets generated at IoT devices by the UAVs [hop-1] and (ii) updating of sampled packets from UAVs to the TBS [hop-2]. To address this, we propose Age-of-Information (AoI) scheduling algorithms for two-hop UAV-relayed IoT-networks. First, we propose a low-complexity AoI scheduler, termed, MAF-MAD that employs Maximum AoI First (MAF) policy for sampling of IoT devices at UAV (hop-1) and Maximum AoI Difference (MAD) policy for updating sampled packets from UAV to the TBS (hop-2). We prove that MAF-MAD is the optimal AoI scheduler under ideal conditions (lossless wireless channels and generate-at-will traffic-generation at IoT devices). On the contrary, for general conditions (lossy channel conditions and varying periodic traffic-generation at IoT devices), a deep reinforcement learning algorithm, namely, Proximal Policy Optimization (PPO)-based scheduler is proposed. Simulation results show that the proposed PPO-based scheduler outperforms other schedulers like MAF-MAD, MAF, and round-robin in all considered general scenarios.

Accurate real-time traffic forecast is critical for intelligent transportation systems (ITS) and it serves as the cornerstone of various smart mobility applications. Though this research area is dominated by deep learning, recent studies indicate that the accuracy improvement by developing new model structures is becoming marginal. Instead, we envision that the improvement can be achieved by transferring the "forecasting-related knowledge" across cities with different data distributions and network topologies. To this end, this paper aims to propose a novel transferable traffic forecasting framework: Domain Adversarial Spatial-Temporal Network (DASTNet). DASTNet is pre-trained on multiple source networks and fine-tuned with the target network's traffic data. Specifically, we leverage the graph representation learning and adversarial domain adaptation techniques to learn the domain-invariant node embeddings, which are further incorporated to model the temporal traffic data. To the best of our knowledge, we are the first to employ adversarial multi-domain adaptation for network-wide traffic forecasting problems. DASTNet consistently outperforms all state-of-the-art baseline methods on three benchmark datasets. The trained DASTNet is applied to Hong Kong's new traffic detectors, and accurate traffic predictions can be delivered immediately (within one day) when the detector is available. Overall, this study suggests an alternative to enhance the traffic forecasting methods and provides practical implications for cities lacking historical traffic data.

Recent progress in machine learning methods, and the emerging availability of programmable interfaces for scanning probe microscopes (SPMs), have propelled automated and autonomous microscopies to the forefront of attention of the scientific community. However, enabling automated microscopy requires the development of task-specific machine learning methods, understanding the interplay between physics discovery and machine learning, and fully defined discovery workflows. This, in turn, requires balancing the physical intuition and prior knowledge of the domain scientist with rewards that define experimental goals and machine learning algorithms that can translate these to specific experimental protocols. Here, we discuss the basic principles of Bayesian active learning and illustrate its applications for SPM. We progress from the Gaussian Process as a simple data-driven method and Bayesian inference for physical models as an extension of physics-based functional fits to more complex deep kernel learning methods, structured Gaussian Processes, and hypothesis learning. These frameworks allow for the use of prior data, the discovery of specific functionalities as encoded in spectral data, and exploration of physical laws manifesting during the experiment. The discussed framework can be universally applied to all techniques combining imaging and spectroscopy, SPM methods, nanoindentation, electron microscopy and spectroscopy, and chemical imaging methods, and can be particularly impactful for destructive or irreversible measurements.

Discovering and parameterising latent confounders represent important and challenging problems in causal structure learning and density estimation respectively. In this paper, we focus on both discovering and learning the distribution of latent confounders. This task requires solutions that come from different areas of statistics and machine learning. We combine elements of variational Bayesian methods, expectation-maximisation, hill-climbing search, and structure learning under the assumption of causal insufficiency. We propose two learning strategies; one that maximises model selection accuracy, and another that improves computational efficiency in exchange for minor reductions in accuracy. The former strategy is suitable for small networks and the latter for moderate size networks. Both learning strategies perform well relative to existing solutions.

Estimating a Gibbs density function given a sample is an important problem in computational statistics and statistical learning. Although the well established maximum likelihood method is commonly used, it requires the computation of the partition function (i.e., the normalization of the density). This function can be easily calculated for simple low-dimensional problems but its computation is difficult or even intractable for general densities and high-dimensional problems. In this paper we propose an alternative approach based on Maximum A-Posteriori (MAP) estimators, we name Maximum Recovery MAP (MR-MAP), to derive estimators that do not require the computation of the partition function, and reformulate the problem as an optimization problem. We further propose a least-action type potential that allows us to quickly solve the optimization problem as a feed-forward hyperbolic neural network. We demonstrate the effectiveness of our methods on some standard data sets.

Graph embedding techniques are a staple of modern graph learning research. When using embeddings for downstream tasks such as classification, information about their stability and robustness, i.e., their susceptibility to sources of noise, stochastic effects, or specific parameter choices, becomes increasingly important. As one of the most prominent graph embedding schemes, we focus on node2vec and analyse its embedding quality from multiple perspectives. Our findings indicate that embedding quality is unstable with respect to parameter choices, and we propose strategies to remedy this in practice.

ECG databases are usually highly imbalanced due to the abundance of Normal ECG and scarcity of abnormal cases. As such, deep learning classifiers trained on imbalanced datasets usually perform poorly, especially on minor classes. One solution is to generate realistic synthetic ECG signals using Generative Adversarial Networks (GAN) to augment imbalanced datasets. In this study, we combined conditional GAN with WGAN-GP and developed AC-WGAN-GP in 1D form for the first time to be applied on MIT-BIH Arrhythmia dataset. We investigated the impact of data augmentation on arrhythmia classification. We employed two models for ECG generation: (i) unconditional GAN; Wasserstein GAN with gradient penalty (WGAN-GP) is trained on each class individually; (ii) conditional GAN; one Auxiliary Classifier WGAN-GP (AC-WGAN-GP) model is trained on all classes and then used to generate synthetic beats in all classes. Two scenarios are defined for each case: (a) unscreened; all the generated synthetic beats were used, and (b) screened; only a portion of generated beats are selected and used, based on their Dynamic Time Warping (DTW) distance to a designated template. A state-of-the-art ResNet classifier (EcgResNet34) is trained on each of the augmented datasets and the performance metrics (precision/recall/F1-Score micro- and macro-averaged, confusion matrices, multiclass precision-recall curves) were compared with those of the unaugmented imbalanced case. We also used a simple metric Net Improvement. All the three metrics show consistently that net improvement (total and minor-class), unconditional GAN with raw generated data (not screened) creates the best improvements.

A basic task in explainable AI (XAI) is to identify the most important features behind a prediction made by a black box function $f$. The insertion and deletion tests of Petsiuk et al. (2018) are used to judge the quality of algorithms that rank pixels from most to least important for a classification. Motivated by regression problems we establish a formula for their area under the curve (AUC) criteria in terms of certain main effects and interactions in an anchored decomposition of $f$. We find an expression for the expected value of the AUC under a random ordering of inputs to $f$ and propose an alternative area above a straight line for the regression setting. We use this criterion to compare feature importances computed by integrated gradients (IG) to those computed by Kernel SHAP (KS) as well as LIME, DeepLIFT, vanilla gradient and input$\times$gradient methods. KS has the best overall performance in two datasets we consider but it is very expensive to compute. We find that IG is nearly as good as KS while being much faster. Our comparison problems include some binary inputs that pose a challenge to IG because it must use values between the possible variable levels and so we consider ways to handle binary variables in IG. We show that sorting variables by their Shapley value does not necessarily give the optimal ordering for an insertion-deletion test. It will however do that for monotone functions of additive models, such as logistic regression.

Most of the recent few-shot learning (FSL) algorithms are based on transfer learning, where a model is pre-trained using a large amount of source data, and the pre-trained model is fine-tuned using a small amount of target data. In transfer learning-based FSL, sophisticated pre-training methods have been widely studied for universal representation. Therefore, it has become more important to utilize the universal representation for downstream tasks, but there are few studies on fine-tuning in FSL. In this paper, we focus on how to transfer pre-trained models to few-shot downstream tasks from the three perspectives: update, data augmentation, and test-time augmentation. First, we compare the two popular update methods, full fine-tuning (i.e., updating the entire network, FT) and linear probing (i.e., updating only a linear classifier, LP). We find that LP is better than FT with extremely few samples, whereas FT outperforms LP as training samples increase. Next, we show that data augmentation cannot guarantee few-shot performance improvement and investigate the effectiveness of data augmentation based on the intensity of augmentation. Finally, we adopt augmentation to both a support set for update (i.e., data augmentation) as well as a query set for prediction (i.e., test-time augmentation), considering support-query distribution shifts, and improve few-shot performance. The code is available at https://github.com/kimyuji/updating_FSL.

Markov chains are a class of probabilistic models that have achieved widespread application in the quantitative sciences. This is in part due to their versatility, but is compounded by the ease with which they can be probed analytically. This tutorial provides an in-depth introduction to Markov chains, and explores their connection to graphs and random walks. We utilize tools from linear algebra and graph theory to describe the transition matrices of different types of Markov chains, with a particular focus on exploring properties of the eigenvalues and eigenvectors corresponding to these matrices. The results presented are relevant to a number of methods in machine learning and data mining, which we describe at various stages. Rather than being a novel academic study in its own right, this text presents a collection of known results, together with some new concepts. Moreover, the tutorial focuses on offering intuition to readers rather than formal understanding, and only assumes basic exposure to concepts from linear algebra and probability theory. It is therefore accessible to students and researchers from a wide variety of disciplines.

Neural networks have achieved impressive performance for data in the distribution which is the same as the training set but can produce an overconfident incorrect result for the data these networks have never seen. Therefore, it is essential to detect whether inputs come from out-of-distribution(OOD) in order to guarantee the safety of neural networks deployed in the real world. In this paper, we propose a simple and effective post-hoc technique, WeShort, to reduce the overconfidence of neural networks on OOD data. Our method is inspired by the observation of the internal residual structure, which shows the separation of the OOD and in-distribution (ID) data in the shortcut layer. Our method is compatible with different OOD detection scores and can generalize well to different architectures of networks. We demonstrate our method on various OOD datasets to show its competitive performances and provide reasonable hypotheses to explain why our method works. On the ImageNet benchmark, Weshort achieves state-of-the-art performance on the false positive rate (FPR95) and the area under the receiver operating characteristic (AUROC) on the family of post-hoc methods.

Variational Bayes (VB) applied to latent Dirichlet allocation (LDA) has become the most popular algorithm for aspect modeling. While sufficiently successful in text topic extraction from large corpora, VB is less successful in identifying aspects in the presence of limited data. We present a novel variational message passing algorithm as applied to Latent Dirichlet Allocation (LDA) and compare it with the gold standard VB and collapsed Gibbs sampling. In situations where marginalisation leads to non-conjugate messages, we use ideas from sampling to derive approximate update equations. In cases where conjugacy holds, Loopy Belief update (LBU) (also known as Lauritzen-Spiegelhalter) is used. Our algorithm, ALBU (approximate LBU), has strong similarities with Variational Message Passing (VMP) (which is the message passing variant of VB). To compare the performance of the algorithms in the presence of limited data, we use data sets consisting of tweets and news groups. Additionally, to perform more fine grained evaluations and comparisons, we use simulations that enable comparisons with the ground truth via Kullback-Leibler divergence (KLD). Using coherence measures for the text corpora and KLD with the simulations we show that ALBU learns latent distributions more accurately than does VB, especially for smaller data sets.

New classes arise frequently in our ever-changing world, e.g., emerging topics in social media and new types of products in e-commerce. A model should recognize new classes and meanwhile maintain discriminability over old classes. Under severe circumstances, only limited novel instances are available to incrementally update the model. The task of recognizing few-shot new classes without forgetting old classes is called few-shot class-incremental learning (FSCIL). In this work, we propose a new paradigm for FSCIL based on meta-learning by LearnIng Multi-phase Incremental Tasks (LIMIT), which synthesizes fake FSCIL tasks from the base dataset. The data format of fake tasks is consistent with the `real' incremental tasks, and we can build a generalizable feature space for the unseen tasks through meta-learning. Besides, LIMIT also constructs a calibration module based on transformer, which calibrates the old class classifiers and new class prototypes into the same scale and fills in the semantic gap. The calibration module also adaptively contextualizes the instance-specific embedding with a set-to-set function. LIMIT efficiently adapts to new classes and meanwhile resists forgetting over old classes. Experiments on three benchmark datasets (CIFAR100, miniImageNet, and CUB200) and large-scale dataset, i.e., ImageNet ILSVRC2012 validate that LIMIT achieves state-of-the-art performance.

Graph Neural Networks~(GNNs) are effective tools for graph representation learning. Most GNNs rely on a recursive neighborhood aggregation scheme, named message passing, thereby their theoretical expressive power is limited to the first order Weisfeiler-Lehman test (1-WL). Motivated by the success of retrieval-based models and off-the-shelf high-performance retrieval systems, we propose a non-parametric and model-agnostic scheme called GraphRetrieval to boost existing GNN models. In GraphRetrieval, similar training graphs associated with their ground-truth labels are retrieved as an enhancement to be jointly utilized with the input graph representation to complete various graph property predictive tasks. In particular, to effectively "absorb" useful information from retrieved graphs and "ignore" possible noise, we introduce an adapter based on self-attention to explicitly learn the interaction between an input graph and its retrieved similar graphs. By experimenting with three classic GNN models on 12 different datasets, we have demonstrated GraphRetrieval is able to bring substantial improvements to existing GNN models without comprising the model size and the prediction efficiency. Our work also firstly validates the feasibility and effectiveness of retrieved-enhanced graph neural networks.

Recent advances in modeling large-scale complex physical systems have shifted research focuses towards data-driven techniques. However, generating datasets by simulating complex systems can require significant computational resources. Similarly, acquiring experimental datasets can prove difficult as well. For these systems, often computationally inexpensive, but in general inaccurate, models, known as the low-fidelity models, are available. In this paper, we propose a bi-fidelity modeling approach for complex physical systems, where we model the discrepancy between the true system's response and low-fidelity response in the presence of a small training dataset from the true system's response using a deep operator network (DeepONet), a neural network architecture suitable for approximating nonlinear operators. We apply the approach to model systems that have parametric uncertainty and are partially unknown. Three numerical examples are used to show the efficacy of the proposed approach to model uncertain and partially unknown complex physical systems.

Reliable spatial uncertainty evaluation of object detection models is of special interest and has been subject of recent work. In this work, we review the existing definitions for uncertainty calibration of probabilistic regression tasks. We inspect the calibration properties of common detection networks and extend state-of-the-art recalibration methods. Our methods use a Gaussian process (GP) recalibration scheme that yields parametric distributions as output (e.g. Gaussian or Cauchy). The usage of GP recalibration allows for a local (conditional) uncertainty calibration by capturing dependencies between neighboring samples. The use of parametric distributions such as as Gaussian allows for a simplified adaption of calibration in subsequent processes, e.g., for Kalman filtering in the scope of object tracking. In addition, we use the GP recalibration scheme to perform covariance estimation which allows for post-hoc introduction of local correlations between the output quantities, e.g., position, width, or height in object detection. To measure the joint calibration of multivariate and possibly correlated data, we introduce the quantile calibration error which is based on the Mahalanobis distance between the predicted distribution and the ground truth to determine whether the ground truth is within a predicted quantile. Our experiments show that common detection models overestimate the spatial uncertainty in comparison to the observed error. We show that the simple Isotonic Regression recalibration method is sufficient to achieve a good uncertainty quantification in terms of calibrated quantiles. In contrast, if normal distributions are required for subsequent processes, our GP-Normal recalibration method yields the best results. Finally, we show that our covariance estimation method is able to achieve best calibration results for joint multivariate calibration.

We present CycleDance, a dance style transfer system to transform an existing motion clip in one dance style to a motion clip in another dance style while attempting to preserve motion context of the dance. Our method extends an existing CycleGAN architecture for modeling audio sequences and integrates multimodal transformer encoders to account for music context. We adopt sequence length-based curriculum learning to stabilize training. Our approach captures rich and long-term intra-relations between motion frames, which is a common challenge in motion transfer and synthesis work. We further introduce new metrics for gauging transfer strength and content preservation in the context of dance movements. We perform an extensive ablation study as well as a human study including 30 participants with 5 or more years of dance experience. The results demonstrate that CycleDance generates realistic movements with the target style, significantly outperforming the baseline CycleGAN on naturalness, transfer strength, and content preservation.

Recent studies show that deep learning (DL) based MRI reconstruction outperforms conventional methods, such as parallel imaging and compressed sensing (CS), in multiple applications. Unlike CS that is typically implemented with pre-determined linear representations for regularization, DL inherently uses a non-linear representation learned from a large database. Another line of work uses transform learning (TL) to bridge the gap between these two approaches by learning linear representations from data. In this work, we combine ideas from CS, TL and DL reconstructions to learn deep linear convolutional transforms as part of an algorithm unrolling approach. Using end-to-end training, our results show that the proposed technique can reconstruct MR images to a level comparable to DL methods, while supporting uniform undersampling patterns unlike conventional CS methods. Our proposed method relies on convex sparse image reconstruction with linear representation at inference time, which may be beneficial for characterizing robustness, stability and generalizability.

This work presents a novel regularization method for the identification of Nonlinear Autoregressive eXogenous (NARX) models. The regularization method promotes the exponential decay of the influence of past input samples on the current model output. This is done by penalizing the sensitivity of the NARX model simulated output with respect to the past inputs. This promotes the stability of the estimated models and improves the obtained model quality. The effectiveness of the approach is demonstrated through a simulation example, where a neural network NARX model is identified with this novel method. Moreover, it is shown that the proposed regularization approach improves the model accuracy in terms of simulation error performance compared to that of other regularization methods and model classes.

In this work, we propose a robust framework that employs adversarially robust training to safeguard the machine learning models against perturbed testing data. We achieve this by incorporating the worst-case additive adversarial error within a fixed budget for each sample during model estimation. Our main focus is to provide a plug-and-play solution that can be incorporated in the existing machine learning algorithms with minimal changes. To that end, we derive the closed-form ready-to-use solution for several widely used loss functions with a variety of norm constraints on adversarial perturbation. Finally, we validate our approach by showing significant performance improvement on real-world datasets for supervised problems such as regression and classification, as well as for unsupervised problems such as matrix completion and learning graphical models, with very little computational overhead.

A fundamental problem in science and engineering is designing optimal control policies that steer a given system towards a desired outcome. This work proposes Control Physics-Informed Neural Networks (Control PINNs) that simultaneously solve for a given system state, and for the optimal control signal, in a one-stage framework that conforms to the underlying physical laws. Prior approaches use a two-stage framework that first models and then controls a system in sequential order. In contrast, a Control PINN incorporates the required optimality conditions in its architecture and in its loss function. The success of Control PINNs is demonstrated by solving the following open-loop optimal control problems: (i) an analytical problem, (ii) a one-dimensional heat equation, and (iii) a two-dimensional predator-prey problem.

We propose a deep signature/log-signature FBSDE algorithm to solve forward-backward stochastic differential equations (FBSDEs) with state and path dependent features. By incorporating the deep signature/log-signature transformation into the recurrent neural network (RNN) model, our algorithm shortens the training time, improves the accuracy, and extends the time horizon comparing to methods in the existing literature. Moreover, our algorithms can be applied to a wide range of applications such as state and path dependent option pricing involving high-frequency data, model ambiguity, and stochastic games, which are linked to parabolic partial differential equations (PDEs), and path-dependent PDEs (PPDEs). Lastly, we also derive the convergence analysis of the deep signature/log-signature FBSDE algorithm.

Understanding the abundance and distribution of fish in tidal energy streams is important to assess risks presented by introducing tidal energy devices to the habitat. However tidal current flows suitable for tidal energy are often highly turbulent, complicating the interpretation of echosounder data. The portion of the water column contaminated by returns from entrained air must be excluded from data used for biological analyses. Application of a single conventional algorithm to identify the depth-of-penetration of entrained air is insufficient for a boundary that is discontinuous, depth-dynamic, porous, and varies with tidal flow speed. Using a case study at a tidal energy demonstration site in the Bay of Fundy, we describe the development and application of a deep machine learning model with a U-Net based architecture. Our model, Echofilter, was highly responsive to the dynamic range of turbulence conditions and sensitive to the fine-scale nuances in the boundary position, producing an entrained-air boundary line with an average error of 0.33m on mobile downfacing and 0.5-1.0m on stationary upfacing data, less than half that of existing algorithmic solutions. The model's overall annotations had a high level of agreement with the human segmentation, with an intersection-over-union score of 99% for mobile downfacing recordings and 92-95% for stationary upfacing recordings. This resulted in a 50% reduction in the time required for manual edits when compared to the time required to manually edit the line placement produced by the currently available algorithms. Because of the improved initial automated placement, the implementation of the models permits an increase in the standardization and repeatability of line placement.

Federated learning is a machine learning method in which data is not aggregated on a server, but is distributed to the edges, in consideration of security and privacy. ResNet is a classic but representative neural network that succeeds in deepening the neural network by learning a residual function that adds the inputs and outputs together. In federated learning, communication is performed between the server and edge devices to exchange weight parameters, but ResNet has deep layers and a large number of parameters, so communication size becomes large. In this paper, we use Neural ODE as a lightweight model of ResNet to reduce communication size in federated learning. In addition, we newly introduce a flexible federated learning using Neural ODE models with different number of iterations, which correspond to ResNet with different depths. The CIFAR-10 dataset is used in the evaluation, and the use of Neural ODE reduces communication size by approximately 90% compared to ResNet. We also show that the proposed flexible federated learning can merge models with different iteration counts.

The Nystr\"om method is one of the most popular techniques for improving the scalability of kernel methods. However, it has not yet been derived for kernel PCA in line with classical PCA. In this paper we derive kernel PCA with the Nystr\"om method, thereby providing one of the few available options to make kernel PCA scalable. We further study its statistical accuracy through a finite-sample confidence bound on the empirical reconstruction error compared to the full method. The behaviours of the method and bound are illustrated through computer experiments on multiple real-world datasets. As an application of the method we present kernel principal component regression with the Nystr\"om method, as an alternative to Nystr\"om kernel ridge regression for efficient regularized regression with kernels.

Since ML algorithms have proven their success in many different applications, there is also a big interest in privacy preserving (PP) ML methods for building models on sensitive data. Moreover, the increase in the number of data sources and the high computational power required by those algorithms force individuals to outsource the training and/or the inference of a ML model to the clouds providing such services. To address this, we propose a secure 3-party computation framework, CECILIA, offering PP building blocks to enable complex operations privately. In addition to the adapted and common operations like addition and multiplication, it offers multiplexer, most significant bit and modulus conversion. The first two are novel in terms of methodology and the last one is novel in terms of both functionality and methodology. CECILIA also has two complex novel methods, which are the exact exponential of a public base raised to the power of a secret value and the inverse square root of a secret Gram matrix. We use CECILIA to realize the private inference on pre-trained RKNs, which require more complex operations than most other DNNs, on the structural classification of proteins as the first study ever accomplishing the PP inference on RKNs. In addition to the successful private computation of basic building blocks, the results demonstrate that we perform the exact and fully private exponential computation, which is done by approximation in the literature so far. Moreover, they also show that we compute the exact inverse square root of a secret Gram matrix up to a certain privacy level, which has not been addressed in the literature at all. We also analyze the scalability of CECILIA to various settings on a synthetic dataset. The framework shows a great promise to make other ML algorithms as well as further computations privately computable by the building blocks of the framework.

In this work, we present and study a training set-up that achieves fast policy generation for real-world robotic tasks by using massive parallelism on a single workstation GPU. We analyze and discuss the impact of different training algorithm components in the massively parallel regime on the final policy performance and training times. In addition, we present a novel game-inspired curriculum that is well suited for training with thousands of simulated robots in parallel. We evaluate the approach by training the quadrupedal robot ANYmal to walk on challenging terrain. The parallel approach allows training policies for flat terrain in under four minutes, and in twenty minutes for uneven terrain. This represents a speedup of multiple orders of magnitude compared to previous work. Finally, we transfer the policies to the real robot to validate the approach. We open-source our training code to help accelerate further research in the field of learned legged locomotion.

Probabilistic classifiers output confidence scores along with their predictions, and these confidence scores should be calibrated, i.e., they should reflect the reliability of the prediction. Confidence scores that minimize standard metrics such as the expected calibration error (ECE) accurately measure the reliability on average across the entire population. However, it is in general impossible to measure the reliability of an individual prediction. In this work, we propose the local calibration error (LCE) to span the gap between average and individual reliability. For each individual prediction, the LCE measures the average reliability of a set of similar predictions, where similarity is quantified by a kernel function on a pretrained feature space and by a binning scheme over predicted model confidences. We show theoretically that the LCE can be estimated sample-efficiently from data, and empirically find that it reveals miscalibration modes that are more fine-grained than the ECE can detect. Our key result is a novel local recalibration method LoRe, to improve confidence scores for individual predictions and decrease the LCE. Experimentally, we show that our recalibration method produces more accurate confidence scores, which improves downstream fairness and decision making on classification tasks with both image and tabular data.

Semi-supervised learning (SSL) has been a powerful strategy to incorporate few labels in learning better representations. In this paper, we focus on a practical scenario that one aims to apply SSL when unlabeled data may contain out-of-class samples - those that cannot have one-hot encoded labels from a closed-set of classes in label data, i.e., the unlabeled data is an open-set. Specifically, we introduce OpenCoS, a simple framework for handling this realistic semi-supervised learning scenario based upon a recent framework of self-supervised visual representation learning. We first observe that the out-of-class samples in the open-set unlabeled dataset can be identified effectively via self-supervised contrastive learning. Then, OpenCoS utilizes this information to overcome the failure modes in the existing state-of-the-art semi-supervised methods, by utilizing one-hot pseudo-labels and soft-labels for the identified in- and out-of-class unlabeled data, respectively. Our extensive experimental results show the effectiveness of OpenCoS under the presence of out-of-class samples, fixing up the state-of-the-art semi-supervised methods to be suitable for diverse scenarios involving open-set unlabeled data.

Recently, invariant risk minimization (IRM) was proposed as a promising solution to address out-of-distribution (OOD) generalization. However, it is unclear when IRM should be preferred over the widely-employed empirical risk minimization (ERM) framework. In this work, we analyze both these frameworks from the perspective of sample complexity, thus taking a firm step towards answering this important question. We find that depending on the type of data generation mechanism, the two approaches might have very different finite sample and asymptotic behavior. For example, in the covariate shift setting we see that the two approaches not only arrive at the same asymptotic solution, but also have similar finite sample behavior with no clear winner. For other distribution shifts such as those involving confounders or anti-causal variables, however, the two approaches arrive at different asymptotic solutions where IRM is guaranteed to be close to the desired OOD solutions in the finite sample regime, while ERM is biased even asymptotically. We further investigate how different factors -- the number of environments, complexity of the model, and IRM penalty weight -- impact the sample complexity of IRM in relation to its distance from the OOD solutions

Surface code error correction offers a highly promising pathway to achieve scalable fault-tolerant quantum computing. When operated as stabilizer codes, surface code computations consist of a syndrome decoding step where measured stabilizer operators are used to determine appropriate corrections for errors in physical qubits. Decoding algorithms have undergone substantial development, with recent work incorporating machine learning (ML) techniques. Despite promising initial results, the ML-based syndrome decoders are still limited to small scale demonstrations with low latency and are incapable of handling surface codes with boundary conditions and various shapes needed for lattice surgery and braiding. Here, we report the development of an artificial neural network (ANN) based scalable and fast syndrome decoder capable of decoding surface codes of arbitrary shape and size with data qubits suffering from the depolarizing error model. Based on rigorous training over 50 million random quantum error instances, our ANN decoder is shown to work with code distances exceeding 1000 (more than 4 million physical qubits), which is the largest ML-based decoder demonstration to-date. The established ANN decoder demonstrates an execution time in principle independent of code distance, implying that its implementation on dedicated hardware could potentially offer surface code decoding times of O($\mu$sec), commensurate with the experimentally realisable qubit coherence times. With the anticipated scale-up of quantum processors within the next decade, their augmentation with a fast and scalable syndrome decoder such as developed in our work is expected to play a decisive role towards experimental implementation of fault-tolerant quantum information processing.

The drug discovery and development process is a long and expensive one, costing over 1 billion USD on average per drug and taking 10-15 years. To reduce the high levels of attrition throughout the process, there has been a growing interest in applying machine learning methodologies to various stages of drug discovery and development in the recent decade, especially at the earliest stage identification of druggable disease genes. In this paper, we have developed a new tensor factorisation model to predict potential drug targets (genes or proteins) for treating diseases. We created a three dimensional data tensor consisting of 1,048 gene targets, 860 diseases and 230,011 evidence attributes and clinical outcomes connecting them, using data extracted from the Open Targets and PharmaProjects databases. We enriched the data with gene target representations learned from a drug discovery oriented knowledge graph and applied our proposed method to predict the clinical outcomes for unseen gene target and disease pairs. We designed three evaluation strategies to measure the prediction performance and benchmarked several commonly used machine learning classifiers together with Bayesian matrix and tensor factorisation methods. The result shows that incorporating knowledge graph embeddings significantly improves the prediction accuracy and that training tensor factorisation alongside a dense neural network outperforms all other baselines. In summary, our framework combines two actively studied machine learning approaches to disease target identification, namely tensor factorisation and knowledge graph representation learning, which could be a promising avenue for further exploration in data driven drug discovery.

Recently there has been significant theoretical progress on understanding the convergence and generalization of gradient-based methods on nonconvex losses with overparameterized models. Nevertheless, many aspects of optimization and generalization and in particular the critical role of small random initialization are not fully understood. In this paper, we take a step towards demystifying this role by proving that small random initialization followed by a few iterations of gradient descent behaves akin to popular spectral methods. We also show that this implicit spectral bias from small random initialization, which is provably more prominent for overparameterized models, also puts the gradient descent iterations on a particular trajectory towards solutions that are not only globally optimal but also generalize well. Concretely, we focus on the problem of reconstructing a low-rank matrix from a few measurements via a natural nonconvex formulation. In this setting, we show that the trajectory of the gradient descent iterations from small random initialization can be approximately decomposed into three phases: (I) a spectral or alignment phase where we show that that the iterates have an implicit spectral bias akin to spectral initialization allowing us to show that at the end of this phase the column space of the iterates and the underlying low-rank matrix are sufficiently aligned, (II) a saddle avoidance/refinement phase where we show that the trajectory of the gradient iterates moves away from certain degenerate saddle points, and (III) a local refinement phase where we show that after avoiding the saddles the iterates converge quickly to the underlying low-rank matrix. Underlying our analysis are insights for the analysis of overparameterized nonconvex optimization schemes that may have implications for computational problems beyond low-rank reconstruction.

Data sets in which measurements of two (or more) types are obtained from a common set of samples arise in many scientific applications. A common problem in the exploratory analysis of such data is to identify groups of features of different data types that are strongly associated. A bimodule is a pair (A, B) of feature sets from two data types such that the aggregate cross-correlation between the features in A and those in B is large. A bimodule (A, B) is stable if A coincides with the set of features that have significant aggregate correlation with the features in B, and vice-versa. In this paper we propose and investigate an iterative testing-based procedure (BSP) to identify stable bimodules in bi-view data. We carry out a thorough simulation study to assess the performance of BSP, and present an extended application to the problem of expression quantitative trait loci (eQTL) analysis using recent data from the GTEx project. In addition, we apply BSP to climatology data to identify regions in North America where annual temperature variation affects precipitation.

Deep reinforcement learning has gained a lot of success with the presence of trust region policy optimization (TRPO) and proximal policy optimization (PPO), for their scalability and efficiency. However, the pessimism of both algorithms, among which it either is constrained in a trust region or strictly excludes all suspicious gradients, has been proven to suppress the exploration and harm the performance of the agent. To address those issues, we propose a shifted Markov decision process (MDP), or rather, with entropy augmentation, to encourage the exploration and reinforce the ability of escaping from suboptimums. Our method is extensible and adapts to either reward shaping or bootstrapping. With convergence analysis given, we find it is crucial to control the temperature coefficient. However, if appropriately tuning it, we can achieve remarkable performance, even on other algorithms, since it is simple yet effective. Our experiments test augmented TRPO and PPO on MuJoCo benchmark tasks, of an indication that the agent is heartened towards higher reward regions, and enjoys a balance between exploration and exploitation. We verify the exploration bonus of our method on two grid world environments.

This paper presents a novel non-stationary dynamic pricing algorithm design, where pricing agents face incomplete demand information and market environment shifts. The agents run price experiments to learn about each product's demand curve and the profit-maximizing price, while being aware of market environment shifts to avoid high opportunity costs from offering sub-optimal prices. The proposed ACIDP extends information-directed sampling (IDS) algorithms from statistical machine learning to include microeconomic choice theory, with a novel pricing strategy auditing procedure to escape sub-optimal pricing after market environment shift. The proposed ACIDP outperforms competing bandit algorithms including Upper Confidence Bound (UCB) and Thompson sampling (TS) in a series of market environment shifts.

Event logs are widely used for anomaly detection and prediction in complex systems. Existing log-based anomaly detection methods usually consist of four main steps: log collection, log parsing, feature extraction, and anomaly detection, wherein the feature extraction step extracts useful features for anomaly detection by counting log events. For a complex system, such as a lithography machine consisting of a large number of subsystems, its log may contain thousands of different events, resulting in abounding extracted features. However, when anomaly detection is performed at the subsystem level, analyzing all features becomes expensive and unnecessary. To mitigate this problem, we develop a feature selection method for log-based anomaly detection and prediction, largely improving the effectiveness and efficiency.

We study Stackelberg games where a principal repeatedly interacts with a long-lived, non-myopic agent, without knowing the agent's payoff function. Although learning in Stackelberg games is well-understood when the agent is myopic, non-myopic agents pose additional complications. In particular, non-myopic agents may strategically select actions that are inferior in the present to mislead the principal's learning algorithm and obtain better outcomes in the future. We provide a general framework that reduces learning in presence of non-myopic agents to robust bandit optimization in the presence of myopic agents. Through the design and analysis of minimally reactive bandit algorithms, our reduction trades off the statistical efficiency of the principal's learning algorithm against its effectiveness in inducing near-best-responses. We apply this framework to Stackelberg security games (SSGs), pricing with unknown demand curve, strategic classification, and general finite Stackelberg games. In each setting, we characterize the type and impact of misspecifications present in near-best-responses and develop a learning algorithm robust to such misspecifications. Along the way, we improve the query complexity of learning in SSGs with $n$ targets from the state-of-the-art $O(n^3)$ to a near-optimal $\widetilde{O}(n)$ by uncovering a fundamental structural property of such games. This result is of independent interest beyond learning with non-myopic agents.

A reliable and efficient representation of multivariate time series is crucial in various downstream machine learning tasks. In multivariate time series forecasting, each variable depends on its historical values and there are inter-dependencies among variables as well. Models have to be designed to capture both intra- and inter-relationships among the time series. To move towards this goal, we propose the Time Series Attention Transformer (TSAT) for multivariate time series representation learning. Using TSAT, we represent both temporal information and inter-dependencies of multivariate time series in terms of edge-enhanced dynamic graphs. The intra-series correlations are represented by nodes in a dynamic graph; a self-attention mechanism is modified to capture the inter-series correlations by using the super-empirical mode decomposition (SMD) module. We applied the embedded dynamic graphs to times series forecasting problems, including two real-world datasets and two benchmark datasets. Extensive experiments show that TSAT clearly outerperforms six state-of-the-art baseline methods in various forecasting horizons. We further visualize the embedded dynamic graphs to illustrate the graph representation power of TSAT. We share our code at https://github.com/RadiantResearch/TSAT.  ( 2 min )

We propose a new semi-analytic physics informed neural network (PINN) to solve singularly perturbed boundary value problems. The PINN is a scientific machine learning framework that offers a promising perspective for finding numerical solutions to partial differential equations. The PINNs have shown impressive performance in solving various differential equations including time-dependent and multi-dimensional equations involved in a complex geometry of the domain. However, when considering stiff differential equations, neural networks in general fail to capture the sharp transition of solutions, due to the spectral bias. To resolve this issue, here we develop the semi-analytic PINN methods, enriched by using the so-called corrector functions obtained from the boundary layer analysis. Our new enriched PINNs accurately predict numerical solutions to the singular perturbation problems. Numerical experiments include various types of singularly perturbed linear and nonlinear differential equations.  ( 2 min )

We study the problem of best arm identification in a federated learning multi-armed bandit setup with a central server and multiple clients. Each client is associated with a multi-armed bandit in which each arm yields {\em i.i.d.}\ rewards following a Gaussian distribution with an unknown mean and known variance. The set of arms is assumed to be the same at all the clients. We define two notions of best arm -- local and global. The local best arm at a client is the arm with the largest mean among the arms local to the client, whereas the global best arm is the arm with the largest average mean across all the clients. We assume that each client can only observe the rewards from its local arms and thereby estimate its local best arm. The clients communicate with a central server on uplinks that entail a cost of $C\ge0$ units per usage per uplink. The global best arm is estimated at the server. The goal is to identify the local best arms and the global best arm with minimal total cost, defined as the sum of the total number of arm selections at all the clients and the total communication cost, subject to an upper bound on the error probability. We propose a novel algorithm {\sc FedElim} that is based on successive elimination and communicates only in exponential time steps and obtain a high probability instance-dependent upper bound on its total cost. The key takeaway from our paper is that for any $C\geq 0$ and error probabilities sufficiently small, the total number of arm selections (resp.\ the total cost) under {\sc FedElim} is at most~$2$ (resp.~$3$) times the maximum total number of arm selections under its variant that communicates in every time step. Additionally, we show that the latter is optimal in expectation up to a constant factor, thereby demonstrating that communication is almost cost-free in {\sc FedElim}. We numerically validate the efficacy of {\sc FedElim}.  ( 3 min )

As post hoc explanations are increasingly used to understand the behavior of graph neural networks (GNNs), it becomes crucial to evaluate the quality and reliability of GNN explanations. However, assessing the quality of GNN explanations is challenging as existing graph datasets have no or unreliable ground-truth explanations for a given task. Here, we introduce a synthetic graph data generator, ShapeGGen, which can generate a variety of benchmark datasets (e.g., varying graph sizes, degree distributions, homophilic vs. heterophilic graphs) accompanied by ground-truth explanations. Further, the flexibility to generate diverse synthetic datasets and corresponding ground-truth explanations allows us to mimic the data generated by various real-world applications. We include ShapeGGen and several real-world graph datasets into an open-source graph explainability library, GraphXAI. In addition to synthetic and real-world graph datasets with ground-truth explanations, GraphXAI provides data loaders, data processing functions, visualizers, GNN model implementations, and evaluation metrics to benchmark the performance of GNN explainability methods.

Methods of eXplainable Artificial Intelligence (XAI) are used in geoscientific applications to gain insights into the decision-making strategy of Neural Networks (NNs) highlighting which features in the input contribute the most to a NN prediction. Here, we discuss our lesson learned that the task of attributing a prediction to the input does not have a single solution. Instead, the attribution results and their interpretation depend greatly on the considered baseline (sometimes referred to as reference point) that the XAI method utilizes; a fact that has been overlooked so far in the literature. This baseline can be chosen by the user or it is set by construction in the method s algorithm, often without the user being aware of that choice. We highlight that different baselines can lead to different insights for different science questions and, thus, should be chosen accordingly. To illustrate the impact of the baseline, we use a large ensemble of historical and future climate simulations forced with the SSP3-7.0 scenario and train a fully connected NN to predict the ensemble- and global-mean temperature (i.e., the forced global warming signal) given an annual temperature map from an individual ensemble member. We then use various XAI methods and different baselines to attribute the network predictions to the input. We show that attributions differ substantially when considering different baselines, as they correspond to answering different science questions. We conclude by discussing some important implications and considerations about the use of baselines in XAI research.

Variational Bayes (VB) applied to latent Dirichlet allocation (LDA) has become the most popular algorithm for aspect modeling. While sufficiently successful in text topic extraction from large corpora, VB is less successful in identifying aspects in the presence of limited data. We present a novel variational message passing algorithm as applied to Latent Dirichlet Allocation (LDA) and compare it with the gold standard VB and collapsed Gibbs sampling. In situations where marginalisation leads to non-conjugate messages, we use ideas from sampling to derive approximate update equations. In cases where conjugacy holds, Loopy Belief update (LBU) (also known as Lauritzen-Spiegelhalter) is used. Our algorithm, ALBU (approximate LBU), has strong similarities with Variational Message Passing (VMP) (which is the message passing variant of VB). To compare the performance of the algorithms in the presence of limited data, we use data sets consisting of tweets and news groups. Using coherence measures we show that ALBU learns latent distributions more accurately than does VB, especially for smaller data sets.

Standard diffusion models involve an image transform -- adding Gaussian noise -- and an image restoration operator that inverts this degradation. We observe that the generative behavior of diffusion models is not strongly dependent on the choice of image degradation, and in fact an entire family of generative models can be constructed by varying this choice. Even when using completely deterministic degradations (e.g., blur, masking, and more), the training and test-time update rules that underlie diffusion models can be easily generalized to create generative models. The success of these fully deterministic models calls into question the community's understanding of diffusion models, which relies on noise in either gradient Langevin dynamics or variational inference, and paves the way for generalized diffusion models that invert arbitrary processes. Our code is available at https://github.com/arpitbansal297/Cold-Diffusion-Models

The following paper is a reproducibility report for "Social NCE: Contrastive Learning of Socially-aware Motion Representations" {\cite{liu2020snce}} published in ICCV 2021 as part of the ML Reproducibility Challenge 2021. The original code was made available by the author \footnote{\href{https://github.com/vita-epfl/social-nce}{https://github.com/vita-epfl/social-nce}}. We attempted to verify the results claimed by the authors and reimplemented their code in PyTorch Lightning.  ( 2 min )

Graph convolutional networks are a popular class of deep neural network algorithms which have shown success in a number of relational learning tasks. Despite their success, graph convolutional networks exhibit a number of peculiar features, including a bias towards learning oversmoothed and homophilic functions, which are not easily diagnosed due to the complex nature of these algorithms. We propose to bridge this gap in understanding by studying the neural tangent kernel of sheaf convolutional networks--a topological generalization of graph convolutional networks. To this end, we derive a parameterization of the neural tangent kernel for sheaf convolutional networks which separates the function into two parts: one driven by a forward diffusion process determined by the graph, and the other determined by the composite effect of nodes' activations on the output layer. This geometrically-focused derivation produces a number of immediate insights which we discuss in detail.

Much research has been devoted to the problem of learning fair representations; however, they do not explicitly the relationship between latent representations. In many real-world applications, there may be causal relationships between latent representations. Furthermore, most fair representation learning methods focus on group-level fairness and are based on correlations, ignoring the causal relationships underlying the data. In this work, we theoretically demonstrate that using the structured representations enable downstream predictive models to achieve counterfactual fairness, and then we propose the Counterfactual Fairness Variational AutoEncoder (CF-VAE) to obtain structured representations with respect to domain knowledge. The experimental results show that the proposed method achieves better fairness and accuracy performance than the benchmark fairness methods.  ( 2 min )

Although many near-Earth objects have been found by ground-based telescopes, some fast-moving ones, especially those near detection limits, have been missed by observatories. We developed a convolutional neural network for detecting faint fast-moving near-Earth objects. It was trained with artificial streaks generated from simulations and was able to find these asteroid streaks with an accuracy of 98.7% and a false positive rate of 0.02% on simulated data. This program was used to search image data from the Zwicky Transient Facility (ZTF) in four nights in 2019, and it identified six previously undiscovered asteroids. The visual magnitudes of our detections range from ~19.0 - 20.3 and motion rates range from ~6.8 - 24 deg/day, which is very faint compared to other ZTF detections moving at similar motion rates. Our asteroids are also ~1 - 51 m diameter in size and ~5 - 60 lunar distances away at close approach, assuming their albedo values follow the albedo distribution function of known asteroids. The use of a purely simulated dataset to train our model enables the program to gain sensitivity in detecting faint and fast-moving objects while still being able to recover nearly all discoveries made by previously designed neural networks which used real detections to train neural networks. Our approach can be adopted by any observatory for detecting fast-moving asteroid streaks.  ( 3 min )

This paper addresses policy learning in non-stationary environments and games with continuous actions. Rather than the classical reward maximization mechanism, inspired by the ideas of follow-the-regularized-leader (FTRL) and mirror descent (MD) update, we propose a no-regret style reinforcement learning algorithm PORL for continuous action tasks. We prove that PORL has a last-iterate convergence guarantee, which is important for adversarial and cooperative games. Empirical studies show that, in stationary environments such as MuJoCo locomotion controlling tasks, PORL performs equally well as, if not better than, the soft actor-critic (SAC) algorithm; in non-stationary environments including dynamical environments, adversarial training, and competitive games, PORL is superior to SAC in both a better final policy performance and a more stable training process.

Evaluation of generative models is mostly based on the comparison between the estimated distribution and the ground truth distribution in a certain feature space. To embed samples into informative features, previous works often use convolutional neural networks optimized for classification, which is criticized by recent studies. Therefore, various feature spaces have been explored to discover alternatives. Among them, a surprising approach is to use a randomly initialized neural network for feature embedding. However, the fundamental basis to employ the random features has not been sufficiently justified. In this paper, we rigorously investigate the feature space of models with random weights in comparison to that of trained models. Furthermore, we provide an empirical evidence to choose networks for random features to obtain consistent and reliable results. Our results indicate that the features from random networks can evaluate generative models well similarly to those from trained networks, and furthermore, the two types of features can be used together in a complementary way.  ( 2 min )

Given a learning problem with real-world tradeoffs, which cost function should the model be trained to optimize? This is the metric selection problem in machine learning. Despite its practical interest, there is limited formal guidance on how to select metrics for machine learning applications. This thesis outlines metric elicitation as a principled framework for selecting the performance metric that best reflects implicit user preferences. Once specified, the evaluation metric can be used to compare and train models. In this manuscript, we formalize the problem of Metric Elicitation and devise novel strategies for eliciting classification performance metrics using pairwise preference feedback over classifiers. Specifically, we provide novel strategies for eliciting linear and linear-fractional metrics for binary and multiclass classification problems, which are then extended to a framework that elicits group-fair performance metrics in the presence of multiple sensitive groups. All the elicitation strategies that we discuss are robust to both finite sample and feedback noise, thus are useful in practice for real-world applications. Using the tools and the geometric characterizations of the feasible confusion statistics sets from the binary, multiclass, and multiclass-multigroup classification setups, we further provide strategies to elicit from a wider range of complex, modern multiclass metrics defined by quadratic functions of confusion statistics by exploiting their local linear structure. From application perspective, we also propose to use the metric elicitation framework in optimizing complex black box metrics that is amenable to deep network training. Lastly, to bring theory closer to practice, we conduct a preliminary real-user study that shows the efficacy of the metric elicitation framework in recovering the users' preferred performance metric in a binary classification setup.  ( 3 min )

Interpretability of Deep Learning (DL) models is arguably the barrier in front of trustworthy AI. Despite great efforts made by the Explainable AI (XAI) community, explanations lack robustness--indistinguishable input perturbations may lead to different XAI results. Thus, it is vital to assess how robust DL interpretability is, given an XAI technique. To this end, we identify the following challenges that state-of-the-art is unable to cope with collectively: i) XAI techniques are highly heterogeneous; ii) misinterpretations are normally rare events; iii) both worst-case and overall robustness are of practical interest. In this paper, we propose two evaluation methods to tackle them--i) they are of black-box nature, based on Genetic Algorithm (GA) and Subset Simulation (SS); ii) bespoke fitness functions are used by GA to solve a constrained optimisation efficiently, while SS is dedicated to estimating rare event probabilities; iii) two diverse metrics are introduced, concerning the worst-case interpretation discrepancy and a probabilistic notion of \textit{how} robust in general, respectively. We conduct experiments to study the accuracy, sensitivity and efficiency of our methods that outperform state-of-the-arts. Finally, we show two applications of our methods for ranking robust XAI methods and selecting training schemes to improve both classification and interpretation robustness.

We describe a local surrogate model for use in conjunction with global structure search methods. The model follows the Gaussian approximation potential (GAP) formalism and is based on a the smooth overlap of atomic positions descriptor with sparsification in terms of a reduced number of local environments using mini-batch $k$-means. The model is implemented in the Atomistic Global Optimization X framework and used as a partial replacement of the local relaxations in basin hopping structure search. The approach is shown to be robust for a wide range of atomistic system including molecules, nano-particles, surface supported clusters and surface thin films. The benefits in a structure search context of a local surrogate model are demonstrated. This includes the ability to transfer learning from smaller systems as well as the possibility to perform concurrent multi-stoichiometry searches.

DNN-based video object detection (VOD) powers autonomous driving and video surveillance industries with rising importance and promising opportunities. However, adversarial patch attack yields huge concern in live vision tasks because of its practicality, feasibility, and powerful attack effectiveness. This work proposes Themis, a software/hardware system to defend against adversarial patches for real-time robust video object detection. We observe that adversarial patches exhibit extremely localized superficial feature importance in a small region with non-robust predictions, and thus propose the adversarial region detection algorithm for adversarial effect elimination. Themis also proposes a systematic design to efficiently support the algorithm by eliminating redundant computations and memory traffics. Experimental results show that the proposed methodology can effectively recover the system from the adversarial attack with negligible hardware overhead.

Satellite remote sensing presents a cost-effective solution for synoptic flood monitoring, and satellite-derived flood maps provide a computationally efficient alternative to numerical flood inundation models traditionally used. While satellites do offer timely inundation information when they happen to cover an ongoing flood event, they are limited by their spatiotemporal resolution in terms of their ability to dynamically monitor flood evolution at various scales. Constantly improving access to new satellite data sources as well as big data processing capabilities has unlocked an unprecedented number of possibilities in terms of data-driven solutions to this problem. Specifically, the fusion of data from satellites, such as the Copernicus Sentinels, which have high spatial and low temporal resolution, with data from NASA SMAP and GPM missions, which have low spatial but high temporal resolutions could yield high-resolution flood inundation at a daily scale. Here a Convolutional-Neural-Network is trained using flood inundation maps derived from Sentinel-1 Synthetic Aperture Radar and various hydrological, topographical, and land-use based predictors for the first time, to predict high-resolution probabilistic maps of flood inundation. The performance of UNet and SegNet model architectures for this task is evaluated, using flood masks derived from Sentinel-1 and Sentinel-2, separately with 95 percent-confidence intervals. The Area under the Curve (AUC) of the Precision Recall Curve (PR-AUC) is used as the main evaluation metric, due to the inherently imbalanced nature of classes in a binary flood mapping problem, with the best model delivering a PR-AUC of 0.85.  ( 3 min )

Uncertainty is ubiquitous in games, both in the agents playing games and often in the games themselves. Working with uncertainty is therefore an important component of successful deep reinforcement learning agents. While there has been substantial effort and progress in understanding and working with uncertainty for supervised learning, the body of literature for uncertainty aware deep reinforcement learning is less developed. While many of the same problems regarding uncertainty in neural networks for supervised learning remain for reinforcement learning, there are additional sources of uncertainty due to the nature of an interactable environment. In this work, we provide an overview motivating and presenting existing techniques in uncertainty aware deep reinforcement learning. These works show empirical benefits on a variety of reinforcement learning tasks. This work serves to help to centralize the disparate results and promote future research in this area.  ( 2 min )

We study the Improving Multi-Armed Bandit (IMAB) problem, where the reward obtained from an arm increases with the number of pulls it receives. This model provides an elegant abstraction for many real-world problems in domains such as education and employment, where decisions about the distribution of opportunities can affect the future capabilities of communities and the disparity between them. A decision-maker in such settings must consider the impact of her decisions on future rewards in addition to the standard objective of maximizing her cumulative reward at any time. In many of these applications, the time horizon is unknown to the decision-maker beforehand, which motivates the study of the IMAB problem in the technically more challenging horizon-unaware setting. We study the tension that arises between two seemingly conflicting objectives in the horizon-unaware setting: a) maximizing the cumulative reward at any time based on current rewards of the arms, and b) ensuring that arms with better long-term rewards get sufficient opportunities even if they initially have low rewards. We show that, surprisingly, the two objectives are aligned with each other in this setting. Our main contribution is an anytime algorithm for the IMAB problem that achieves the best possible cumulative reward while ensuring that the arms reach their true potential given sufficient time. Our algorithm mitigates the initial disparity due to lack of opportunity and continues pulling an arm till it stops improving. We prove the optimality of our algorithm by showing that a) any algorithm for the IMAB problem, no matter how utilitarian, must suffer $\Omega(T)$ policy regret and $\Omega(k)$ competitive ratio with respect to the optimal offline policy, and b) the competitive ratio of our algorithm is $O(k)$.

We propose formulating the finite-horizon stochastic optimal control problem for colloidal self-assembly in the space of probability density functions (PDFs) of the underlying state variables (namely, order parameters). The control objective is formulated in terms of steering the state PDFs from a prescribed initial probability measure towards a prescribed terminal probability measure with minimum control effort. For specificity, we use a univariate stochastic state model from the literature. Both the analysis and the computational steps for control synthesis as developed in this paper generalize for multivariate stochastic state dynamics given by generic nonlinear in state and non-affine in control models. We derive the conditions of optimality for the associated optimal control problem. This derivation yields a system of three coupled partial differential equations together with the boundary conditions at the initial and terminal times. The resulting system is a generalized instance of the so-called Schr\"{o}dinger bridge problem. We then determine the optimal control policy by training a physics-informed deep neural network, where the "physics" are the derived conditions of optimality. The performance of the proposed solution is demonstrated via numerical simulations on a benchmark colloidal self-assembly problem.

One of the major open challenges in MIMO-OFDM receive processing is how to efficiently and effectively utilize the extremely limited over-the-air pilot symbols to detect the transmitted data symbols. Recent advances have been devoted to investigating effective ways to utilize the limited pilots. However, we notice that besides exploiting the pilots, one can take advantage of the data symbols to improve the detection performance. Thus, this paper introduces an online subframe-based approach, namely RC-StructNet, that can efficiently learn from the precious pilot symbols and be dynamically updated with the detected payload data using the decision feedback (DF) approach. The network consists of a reservoir computing (RC) module in the time domain and a neural network StructNet in the frequency domain. The unique design of the network allows it to be dynamically updated with the changes of the channel by learning from the detected data symbols. Experiments demonstrate the effectiveness of RC-StructNet in detection under dynamic transmission modes and in reducing the training overhead requirement when taking the DF approach.

Anomaly detection of multivariate time series is meaningful for system behavior monitoring. This paper proposes an anomaly detection method based on unsupervised Short- and Long-term Mask Representation learning (SLMR). The main idea is to extract short-term local dependency patterns and long-term global trend patterns of the multivariate time series by using multi-scale residual dilated convolution and Gated Recurrent Unit(GRU) respectively. Furthermore, our approach can comprehend temporal contexts and feature correlations by combining spatial-temporal masked self-supervised representation learning and sequence split. It considers the importance of features is different, and we introduce the attention mechanism to adjust the contribution of each feature. Finally, a forecasting-based model and a reconstruction-based model are integrated to focus on single timestamp prediction and latent representation of time series. Experiments show that the performance of our method outperforms other state-of-the-art models on three real-world datasets. Further analysis shows that our method is good at interpretability.

Optional type annotations allow for enriching dynamic programming languages with static typing features like better Integrated Development Environment (IDE) support, more precise program analysis, and early detection and prevention of type-related runtime errors. Machine learning-based type inference promises interesting results for automating this task. However, the practical usage of such systems depends on their ability to generalize across different domains, as they are often applied outside their training domain. In this work, we investigate the generalization ability of Type4Py as a representative for state-of-the-art deep learning-based type inference systems, by conducting extensive cross-domain experiments. Thereby, we address the following problems: dataset shifts, out-of-vocabulary words, unknown classes, and rare classes. To perform such experiments, we use the datasets ManyTypes4Py and CrossDomainTypes4Py. The latter we introduce in this paper. Our dataset has over 1,000,000 type annotations and enables cross-domain evaluation of type inference systems in different domains of software projects using data from the two domains web development and scientific calculation. Through our experiments, we detect shifts in the dataset and that it has a long-tailed distribution with many rare and unknown data types which decreases the performance of the deep learning-based type inference system drastically. In this context, we test unsupervised domain adaptation methods and fine-tuning to overcome the issues. Moreover, we investigate the impact of out-of-vocabulary words.

The imputation of missing values represents a significant obstacle for many real-world data analysis pipelines. Here, we focus on time series data and put forward SSSD, an imputation model that relies on two emerging technologies, (conditional) diffusion models as state-of-the-art generative models and structured state space models as internal model architecture, which are particularly suited to capture long-term dependencies in time series data. We demonstrate that SSSD matches or even exceeds state-of-the-art probabilistic imputation and forecasting performance on a broad range of data sets and different missingness scenarios, including the challenging blackout-missing scenarios, where prior approaches failed to provide meaningful results.

The journal impact factor (JIF) is often equated with journal quality and the quality of the peer review of the papers submitted to the journal. We examined the association between the content of peer review and JIF by analysing 10,000 peer review reports submitted to 1,644 medical and life sciences journals. Two researchers hand-coded a random sample of 2,000 sentences. We then trained machine learning models to classify all 187,240 sentences as contributing or not contributing to content categories. We examined the association between ten groups of journals defined by JIF deciles and the content of peer reviews using linear mixed-effects models, adjusting for the length of the review. The JIF ranged from 0.21 to 74.70. The length of peer reviews increased from the lowest (median number of words 185) to the JIF group (387 words). The proportion of sentences allocated to different content categories varied widely, even within JIF groups. For thoroughness, sentences on 'Materials and Methods' were more common in the highest JIF journals than in the lowest JIF group (difference of 7.8 percentage points; 95% CI 4.9 to 10.7%). The trend for 'Presentation and Reporting' went in the opposite direction, with the highest JIF journals giving less emphasis to such content (difference -8.9%; 95% CI -11.3 to -6.5%). For helpfulness, reviews for higher JIF journals devoted less attention to 'Suggestion and Solution' and provided fewer Examples than lower impact factor journals. No, or only small differences were evident for other content categories. In conclusion, peer review in journals with higher JIF tends to be more thorough in discussing the methods used but less helpful in terms of suggesting solutions and providing examples. Differences were modest and variability high, indicating that the JIF is a bad predictor for the quality of peer review of an individual manuscript.

Semantic textual similarity (STS) in the clinical domain helps improve diagnostic efficiency and produce concise texts for downstream data mining tasks. However, given the high degree of domain knowledge involved in clinic text, it remains challenging for general language models to infer implicit medical relationships behind clinical sentences and output similarities correctly. In this paper, we present a graph-augmented cyclic learning framework for similarity estimation in the clinical domain. The framework can be conveniently implemented on a state-of-art backbone language model, and improve its performance by leveraging domain knowledge through co-training with an auxiliary graph convolution network (GCN) based network. We report the success of introducing domain knowledge in GCN and the co-training framework by improving the Bio-clinical BERT baseline by 16.3% and 27.9%, respectively.

Existing temporal action detection (TAD) methods rely on generating an overwhelmingly large number of proposals per video. This leads to complex model designs due to proposal generation and/or per-proposal action instance evaluation and the resultant high computational cost. In this work, for the first time, we propose a proposal-free Temporal Action detection model with Global Segmentation mask (TAGS). Our core idea is to learn a global segmentation mask of each action instance jointly at the full video length. The TAGS model differs significantly from the conventional proposal-based methods by focusing on global temporal representation learning to directly detect local start and end points of action instances without proposals. Further, by modeling TAD holistically rather than locally at the individual proposal level, TAGS needs a much simpler model architecture with lower computational cost. Extensive experiments show that despite its simpler design, TAGS outperforms existing TAD methods, achieving new state-of-the-art performance on two benchmarks. Importantly, it is ~ 20x faster to train and ~1.6x more efficient for inference. Our PyTorch implementation of TAGS is available at https://github.com/sauradip/TAGS .

Off-policy learning is a framework for optimizing policies without deploying them, using data collected by another policy. In recommender systems, this is especially challenging due to the imbalance in logged data: some items are recommended and thus logged more frequently than others. This is further perpetuated when recommending a list of items, as the action space is combinatorial. To address this challenge, we study pessimistic off-policy optimization for learning to rank. The key idea is to compute lower confidence bounds on parameters of click models and then return the list with the highest pessimistic estimate of its value. This approach is computationally efficient and we analyze it. We study its Bayesian and frequentist variants, and overcome the limitation of unknown prior by incorporating empirical Bayes. To show the empirical effectiveness of our approach, we compare it to off-policy optimizers that use inverse propensity scores or neglect uncertainty. Our approach outperforms all baselines, is robust, and is also general.

Predicting video viewership is a top priority for content creators and video-sharing sites. Content creators live on such predictions to maximize influences and minimize budgets. Video-sharing sites rely on this prediction to promote credible videos and curb violative videos. Although deep learning champions viewership prediction, it lacks interpretability, which is fundamental to increasing the adoption of predictive models and prescribing measurements to improve viewership. Following the design-science paradigm, we propose a novel interpretable IT system, Precise Wide and Deep Learning (PrecWD), to precisely interpret viewership prediction. Improving upon state-of-the-art frameworks, PrecWD offers precise feature effects and designs an unstructured component. PrecWD outperforms benchmarks in two contexts: health video viewership prediction and misinformation viewership prediction. A user study confirms the superior interpretability of PrecWD. This study contributes to IS design theory with generalizable design principles and an interpretable predictive framework. Our findings provide implications to improve video viewership and credibility.

Federated Learning (FL) is a distributed machine learning paradigm that enables learning models from decentralized private datasets, where the labeling effort is entrusted to the clients. While most existing FL approaches assume high-quality labels are readily available on users' devices; in reality, label noise can naturally occur in FL and follows a non-i.i.d. distribution among clients. Due to the non-iid-ness challenges, existing state-of-the-art centralized approaches exhibit unsatisfactory performance, while previous FL studies rely on data exchange or repeated server-side aid to improve model's performance. Here, we propose FedLN, a framework to deal with label noise across different FL training stages; namely, FL initialization, on-device model training, and server model aggregation. Specifically, FedLN computes per-client noise-level estimation in a single federated round and improves the models' performance by correcting (or limiting the effect of) noisy samples. Extensive experiments on various publicly available vision and audio datasets demonstrate a 24% improvement on average compared to other existing methods for a label noise level of 70%. We further validate the efficiency of FedLN in human-annotated real-world noisy datasets and report a 9% increase on average in models' recognition rate, highlighting that FedLN can be useful for improving FL services provided to everyday users.

Recently, Graph Neural Networks (GNNs) have been receiving a spotlight as a powerful tool that can effectively serve various inference tasks on graph structured data. As the size of real-world graphs continues to scale, the GNN training system faces a scalability challenge. Distributed training is a popular approach to address this challenge by scaling out CPU nodes. However, not much attention has been paid to disk-based GNN training, which can scale up the single-node system in a more cost-effective manner by leveraging high-performance storage devices like NVMe SSDs. We observe that the data movement between the main memory and the disk is the primary bottleneck in the SSD-based training system, and that the conventional GNN training pipeline is sub-optimal without taking this overhead into account. Thus, we propose Ginex, the first SSD-based GNN training system that can process billion-scale graph datasets on a single machine. Inspired by the inspector-executor execution model in compiler optimization, Ginex restructures the GNN training pipeline by separating sample and gather stages. This separation enables Ginex to realize a provably optimal replacement algorithm, known as Belady's algorithm, for caching feature vectors in memory, which account for the dominant portion of I/O accesses. According to our evaluation with four billion-scale graph datasets, Ginex achieves 2.11x higher training throughput on average (up to 2.67x at maximum) than the SSD-extended PyTorch Geometric.

We consider the problem of OOD generalization, where the goal is to train a model that performs well on test distributions that are different from the training distribution. Deep learning models are known to be fragile to such shifts and can suffer large accuracy drops even for slightly different test distributions. We propose a new method - DAFT - based on the intuition that adversarially robust combination of a large number of rich features should provide OOD robustness. Our method carefully distills the knowledge from a powerful teacher that learns several discriminative features using standard training while combining them using adversarial training. The standard adversarial training procedure is modified to produce teachers which can guide the student better. We evaluate DAFT on standard benchmarks in the DomainBed framework, and demonstrate that DAFT achieves significant improvements over the current state-of-the-art OOD generalization methods. DAFT consistently out-performs well-tuned ERM and distillation baselines by up to 6%, with more pronounced gains for smaller networks.

Modern machine learning models use an ever-increasing number of parameters to train (175 billion parameters for GPT-3) with large datasets to obtain better performance. Bigger is better has been the norm. Optical computing has been reawakened as a potential solution to large-scale computing through optical accelerators that carry out linear operations while reducing electrical power. However, to achieve efficient computing with light, creating and controlling nonlinearity optically rather than electronically remains a challenge. This study explores a reservoir computing (RC) approach whereby a 14 mm long few-mode waveguide in LiNbO3 on insulator is used as a complex nonlinear optical processor. A dataset is encoded digitally on the spectrum of a femtosecond pulse which is then launched in the waveguide. The output spectrum depends nonlinearly on the input. We experimentally show that a simple digital linear classifier with 784 parameters using the output spectrum from the waveguide as input increased the classification accuracy of several databases compared to non-transformed data, approximately 10$\%$. In comparison, a deep digital neural network (NN) with 40000 parameters was necessary to achieve the same accuracy. Reducing the number of parameters by a factor of $\sim$50 illustrates that a compact optical RC approach can perform on par with a deep digital NN.

When quantizing neural networks for efficient inference, low-bit integers are the go-to format for efficiency. However, low-bit floating point numbers have an extra degree of freedom, assigning some bits to work on an exponential scale instead. This paper in-depth investigates this benefit of the floating point format for neural network inference. We detail the choices that can be made for the FP8 format, including the important choice of the number of bits for the mantissa and exponent, and show analytically in which settings these choices give better performance. Then we show how these findings translate to real networks, provide an efficient implementation for FP8 simulation, and a new algorithm that enables the learning of both the scale parameters and the number of exponent bits in the FP8 format. Our chief conclusion is that when doing post-training quantization for a wide range of networks, the FP8 format is better than INT8 in terms of accuracy, and the choice of the number of exponent bits is driven by the severity of outliers in the network. We also conduct experiments with quantization-aware training where the difference in formats disappears as the network is trained to reduce the effect of outliers.

In many applications, machine learned (ML) models are required to hold some invariance qualities, such as rotation, size, intensity, and background invariance. Unlike many types of variance, the variants of background scenes cannot be ordered easily, which makes it difficult to analyze the robustness and biases of the models concerned. In this work, we present a technical solution for ordering background scenes according to their semantic proximity to a target image that contains a foreground object being tested. We make use of the results of object recognition as the semantic description of each image, and construct an ontology for storing knowledge about relationships among different objects using association analysis. This ontology enables (i) efficient and meaningful search for background scenes of different semantic distances to a target image, (ii) quantitative control of the distribution and sparsity of the sampled background scenes, and (iii) quality assurance using visual representations of invariance testing results (referred to as variance matrices). In this paper, we also report the training of an ML4ML assessor to evaluate the invariance quality of ML models automatically.

Current Graph Neural Networks (GNNs) suffer from the over-smoothing problem, which results in indistinguishable node representations and low model performance with more GNN layers. Many methods have been put forward to tackle this problem in recent years. However, existing tackling over-smoothing methods emphasize model performance and neglect the over-smoothness of node representations. Additional, different approaches are applied one at a time, while there lacks an overall framework to jointly leverage multiple solutions to the over-smoothing challenge. To solve these problems, we propose GraTO, a framework based on neural architecture search to automatically search for GNNs architecture. GraTO adopts a novel loss function to facilitate striking a balance between model performance and representation smoothness. In addition to existing methods, our search space also includes DropAttribute, a novel scheme for alleviating the over-smoothing challenge, to fully leverage diverse solutions. We conduct extensive experiments on six real-world datasets to evaluate GraTo, which demonstrates that GraTo outperforms baselines in the over-smoothing metrics and achieves competitive performance in accuracy. GraTO is especially effective and robust with increasing numbers of GNN layers. Further experiments bear out the quality of node representations learned with GraTO and the effectiveness of model architecture. We make cide of GraTo available at Github (\url{https://github.com/fxsxjtu/GraTO}).  ( 3 min )

Robust speech emotion recognition relies on the quality of the speech features. We present speech features enhancement strategy that improves speech emotion recognition. We used the INTERSPEECH 2010 challenge feature-set. We identified subsets from the features set and applied Principle Component Analysis to the subsets. Finally, the features are fused horizontally. The resulting feature set is analyzed using t-distributed neighbour embeddings (t-SNE) before the application of features for emotion recognition. The method is compared with the state-of-the-art methods used in the literature. The empirical evidence is drawn using two well-known datasets: Emotional Speech Dataset (EMO-DB) and Ryerson Audio-Visual Database of Emotional Speech and Song (RAVDESS) for two languages, German and English, respectively. Our method achieved an average recognition gain of 11.5\% for six out of seven emotions for the EMO-DB dataset, and 13.8\% for seven out of eight emotions for the RAVDESS dataset as compared to the baseline study.

Discovering the underlying dynamics of complex systems from data is an important practical topic. Constrained optimization algorithms are widely utilized and lead to many successes. Yet, such purely data-driven methods may bring about incorrect physics in the presence of random noise and cannot easily handle the situation with incomplete data. In this paper, a new iterative learning algorithm for complex turbulent systems with partial observations is developed that alternates between identifying model structures, recovering unobserved variables, and estimating parameters. First, a causality-based learning approach is utilized for the sparse identification of model structures, which takes into account certain physics knowledge that is pre-learned from data. It has unique advantages in coping with indirect coupling between features and is robust to the stochastic noise. A practical algorithm is designed to facilitate the causal inference for high-dimensional systems. Next, a systematic nonlinear stochastic parameterization is built to characterize the time evolution of the unobserved variables. Closed analytic formula via an efficient nonlinear data assimilation is exploited to sample the trajectories of the unobserved variables, which are then treated as synthetic observations to advance a rapid parameter estimation. Furthermore, the localization of the state variable dependence and the physics constraints are incorporated into the learning procedure, which mitigate the curse of dimensionality and prevent the finite time blow-up issue. Numerical experiments show that the new algorithm succeeds in identifying the model structure and providing suitable stochastic parameterizations for many complex nonlinear systems with chaotic dynamics, spatiotemporal multiscale structures, intermittency, and extreme events.  ( 3 min )

Standard deep reinforcement learning (DRL) aims to maximize expected reward, considering collected experiences equally in formulating a policy. This differs from human decision-making, where gains and losses are valued differently and outlying outcomes are given increased consideration. It also fails to capitalize on opportunities to improve safety and/or performance through the incorporation of distributional context. Several approaches to distributional DRL have been investigated, with one popular strategy being to evaluate the projected distribution of returns for possible actions. We propose a more direct approach whereby risk-sensitive objectives, specified in terms of the cumulative distribution function (CDF) of the distribution of full-episode rewards, are optimized. This approach allows for outcomes to be weighed based on relative quality, can be used for both continuous and discrete action spaces, and may naturally be applied in both constrained and unconstrained settings. We show how to compute an asymptotically consistent estimate of the policy gradient for a broad class of risk-sensitive objectives via sampling, subsequently incorporating variance reduction and regularization measures to facilitate effective on-policy learning. We then demonstrate that the use of moderately "pessimistic" risk profiles, which emphasize scenarios where the agent performs poorly, leads to enhanced exploration and a continual focus on addressing deficiencies. We test the approach using different risk profiles in six OpenAI Safety Gym environments, comparing to state of the art on-policy methods. Without cost constraints, we find that pessimistic risk profiles can be used to reduce cost while improving total reward accumulation. With cost constraints, they are seen to provide higher positive rewards than risk-neutral approaches at the prescribed allowable cost.  ( 3 min )

We investigate top-$m$ arm identification, a basic problem in bandit theory, in a multi-agent learning model in which agents collaborate to learn an objective function. We are interested in designing collaborative learning algorithms that achieve maximum speedup (compared to single-agent learning algorithms) using minimum communication cost, as communication is frequently the bottleneck in multi-agent learning. We give both algorithmic and impossibility results, and conduct a set of experiments to demonstrate the effectiveness of our algorithms.  ( 2 min )

The field of autonomous physical science - where machine learning guides and learns from experiments in a closed-loop - is rapidly growing in importance. Autonomous systems allow scientists to fail smarter, learn faster, and spend less resources in their studies. The field promises improved performance for various facilities such as labs, research and development pipelines, and warehouses. As autonomous systems grow in number, capability, and complexity, a new challenge arises - how will these systems work together across large facilities? We explore one solution to this question - a multi-agent framework. We demonstrate a framework with 1) a simulated facility with realistic resource limits such as equipment use limits, 2) machine learning agents with diverse learning capabilities and goals, control over lab instruments, and the ability to run research campaigns, and 3) a network over which these agents can share knowledge and work together to achieve individual or collective goals. The framework is dubbed the MULTI-agent auTonomous fAcilities - a Scalable frameworK aka MULTITASK. MULTITASK allows facility-wide simulations including agent-instrument and agent-agent interactions. Framework modularity allows real-world autonomous spaces to come on-line in phases, with simulated instruments gradually replaced by real-world instruments. Here we demonstrate the framework with a real-world materials science challenge of materials exploration and optimization in a simulated materials lab. We hope the framework opens new areas of research in agent-based facility control scenarios such as agent-to-agent markets and economies, management and decision-making structures, communication and data-sharing structures, and optimization strategies for agents and facilities including those based on game theory.  ( 3 min )

Modern deep generative models can assign high likelihood to inputs drawn from outside the training distribution, posing threats to models in open-world deployments. While much research attention has been placed on defining new test-time measures of OOD uncertainty, these methods do not fundamentally change how deep generative models are regularized and optimized in training. In particular, generative models are shown to overly rely on the background information to estimate the likelihood. To address the issue, we propose a novel frequency-regularized learning FRL framework for OOD detection, which incorporates high-frequency information into training and guides the model to focus on semantically relevant features. FRL effectively improves performance on a wide range of generative architectures, including variational auto-encoder, GLOW, and PixelCNN++. On a new large-scale evaluation task, FRL achieves the state-of-the-art performance, outperforming a strong baseline Likelihood Regret by 10.7% (AUROC) while achieving 147$\times$ faster inference speed. Extensive ablations show that FRL improves the OOD detection performance while preserving the image generation quality. Code is available at https://github.com/mu-cai/FRL.  ( 2 min )

Session-based recommender systems capture the short-term interest of a user within a session. Session contexts (i.e., a user's high-level interests or intents within a session) are not explicitly given in most datasets, and implicitly inferring session context as an aggregation of item-level attributes is crude. In this paper, we propose ISCON, which implicitly contextualizes sessions. ISCON first generates implicit contexts for sessions by creating a session-item graph, learning graph embeddings, and clustering to assign sessions to contexts. ISCON then trains a session context predictor and uses the predicted contexts' embeddings to enhance the next-item prediction accuracy. Experiments on four datasets show that ISCON has superior next-item prediction accuracy than state-of-the-art models. A case study of ISCON on the Reddit dataset confirms that assigned session contexts are unique and meaningful.  ( 2 min )

Recent works on sparse neural network training (sparse training) have shown that a compelling trade-off between performance and efficiency can be achieved by training intrinsically sparse neural networks from scratch. Existing sparse training methods usually strive to find the best sparse subnetwork possible in one single run, without involving any expensive dense or pre-training steps. For instance, dynamic sparse training (DST), is capable of reaching a competitive performance of dense training by iteratively evolving the sparse topology during the course of training. In this paper, we argue that it is better to allocate the limited resources to create multiple low-loss sparse subnetworks and superpose them into a stronger one, instead of allocating all resources entirely to find an individual subnetwork. To achieve this, two desiderata are required: (1) efficiently producing many low-loss subnetworks, the so-called cheap tickets, within one training process limited to the standard training time used in dense training; (2) effectively superposing these cheap tickets into one stronger subnetwork. To corroborate our conjecture, we present a novel sparse training approach, termed Sup-tickets, which can satisfy the above two desiderata concurrently in a single sparse-to-sparse training process. Across various modern architectures on CIFAR-10/100 and ImageNet, we show that Sup-tickets integrates seamlessly with the existing sparse training methods and demonstrates consistent performance improvement.

This paper studies how to train machine-learning models that directly approximate the optimal solutions of constrained optimization problems. This is an empirical risk minimization under constraints, which is challenging as training must balance optimality and feasibility conditions. Supervised learning methods often approach this challenge by training the model on a large collection of pre-solved instances. This paper takes a different route and proposes the idea of Primal-Dual Learning (PDL), a self-supervised training method that does not require a set of pre-solved instances or an optimization solver for training and inference. Instead, PDL mimics the trajectory of an Augmented Lagrangian Method (ALM) and jointly trains primal and dual neural networks. Being a primal-dual method, PDL uses instance-specific penalties of the constraint terms in the loss function used to train the primal network. Experiments show that, on a set of nonlinear optimization benchmarks, PDL typically exhibits negligible constraint violations and minor optimality gaps, and is remarkably close to the ALM optimization. PDL also demonstrated improved or similar performance in terms of the optimality gaps, constraint violations, and training times compared to existing approaches.  ( 2 min )

This paper concerns the approximation of smooth, high-dimensional functions from limited samples using polynomials. This task lies at the heart of many applications in computational science and engineering -- notably, those arising from parametric modelling and uncertainty quantification. It is common to use Monte Carlo (MC) sampling in such applications, so as not to succumb to the curse of dimensionality. However, it is well known this strategy is theoretically suboptimal. There are many polynomial spaces of dimension $n$ for which the sample complexity scales log-quadratically in $n$. This well-documented phenomenon has led to a concerted effort to design improved, in fact, near-optimal strategies, whose sample complexities scale log-linearly, or even linearly in $n$. Paradoxically, in this work we show that MC is actually a perfectly good strategy in high dimensions. We first document this phenomenon via several numerical examples. Next, we present a theoretical analysis that resolves this paradox for holomorphic functions of infinitely-many variables. We show that there is a least-squares scheme based on $m$ MC samples whose error decays algebraically fast in $m/\log(m)$, with a rate that is the same as that of the best $n$-term polynomial approximation. This result is non-constructive, since it assumes knowledge of a suitable polynomial space in which to perform the approximation. We next present a compressed sensing-based scheme that achieves the same rate, except for a larger polylogarithmic factor. This scheme is practical, and numerically it performs as well as or better than well-known adaptive least-squares schemes. Overall, our findings demonstrate that MC sampling is eminently suitable for smooth function approximation when the dimension is sufficiently high. Hence the benefits of improved sampling strategies are generically limited to lower-dimensional settings.  ( 3 min )

We show that deep belief networks with binary hidden units can approximate any multivariate probability density under very mild integrability requirements on the parental density of the visible nodes. The approximation is measured in the $L^q$-norm for $q\in[1,\infty]$ ($q=\infty$ corresponding to the supremum norm) and in Kullback-Leibler divergence. Furthermore, we establish sharp quantitative bounds on the approximation error in terms of the number of hidden units.  ( 2 min )

This article presents a Bangla handwriting dataset named BanglaWriting that contains single-page handwritings of 260 individuals of different personalities and ages. Each page includes bounding-boxes that bounds each word, along with the unicode representation of the writing. This dataset contains 21,234 words and 32,787 characters in total. Moreover, this dataset includes 5,470 unique words of Bangla vocabulary. Apart from the usual words, the dataset comprises 261 comprehensible overwriting and 450 handwritten strikes and mistakes. All of the bounding-boxes and word labels are manually-generated. The dataset can be used for complex optical character/word recognition, writer identification, handwritten word segmentation, and word generation. Furthermore, this dataset is suitable for extracting age-based and gender-based variation of handwriting.

We apply post-processing to the class probability distribution outputs of audio event classification models and employ reinforcement learning to jointly discover the optimal parameters for various stages of a post-processing stack, such as the classification thresholds and the kernel sizes of median filtering algorithms used to smooth out model predictions. To achieve this we define a reinforcement learning environment where: 1) a state is the class probability distribution provided by the model for a given audio sample, 2) an action is the choice of a candidate optimal value for each parameter of the post-processing stack, 3) the reward is based on the classification accuracy metric we aim to optimize, which is the audio event-based macro F1-score in our case. We apply our post-processing to the class probability distribution outputs of two audio event classification models submitted to the DCASE Task4 2020 challenge. We find that by using reinforcement learning to discover the optimal per-class parameters for the post-processing stack that is applied to the outputs of audio event classification models, we can improve the audio event-based macro F1-score (the main metric used in the DCASE challenge to compare audio event classification accuracy) by 4-5% compared to using the same post-processing stack with manually tuned parameters.

We address the task of controlled generation of small molecules, which entails finding novel molecules with desired properties under certain constraints (e.g., similarity to a reference molecule). Here we introduce MolMIM, a probabilistic auto-encoder for small molecule drug discovery that learns an informative and clustered latent space. MolMIM is trained with Mutual Information Machine (MIM) learning, and provides a fixed length representation of variable length SMILES strings. Since encoder-decoder models can learn representations with ``holes'' of invalid samples, here we propose a novel extension to the training procedure which promotes a dense latent space, and allows the model to sample valid molecules from random perturbations of latent codes. We provide a thorough comparison of MolMIM to several variable-size and fixed-size encoder-decoder models, demonstrating MolMIM's superior generation as measured in terms of validity, uniqueness, and novelty. We then utilize CMA-ES, a naive black-box and gradient free search algorithm, over MolMIM's latent space for the task of property guided molecule optimization. We achieve state-of-the-art results in several constrained single property optimization tasks as well as in the challenging task of multi-objective optimization, improving over previous success rate SOTA by more than 5\% . We attribute the strong results to MolMIM's latent representation which clusters similar molecules in the latent space, whereas CMA-ES is often used as a baseline optimization method. We also demonstrate MolMIM to be favourable in a compute limited regime, making it an attractive model for such cases.  ( 3 min )

Standard inference and training with transformer based architectures scale quadratically with input sequence length. This is prohibitively large for a variety of applications especially in web-page translation, query-answering etc. Consequently, several approaches have been developed recently to speedup attention computation by enforcing different attention structures such as sparsity, low-rank, approximating attention using kernels. In this work, we view attention computation as that of nearest neighbor retrieval, and use decision tree based hierarchical navigation to reduce the retrieval cost per query token from linear in sequence length to nearly logarithmic. Based on such hierarchical navigation, we design Treeformer which can use one of two efficient attention layers -- TF-Attention and TC-Attention. TF-Attention computes the attention in a fine-grained style, while TC-Attention is a coarse attention layer which also ensures that the gradients are "dense". To optimize such challenging discrete layers, we propose a two-level bootstrapped training method. Using extensive experiments on standard NLP benchmarks, especially for long-sequences, we demonstrate that our Treeformer architecture can be almost as accurate as baseline Transformer while using 30x lesser FLOPs in the attention layer. Compared to Linformer, the accuracy can be as much as 12% higher while using similar FLOPs in the attention layer.  ( 2 min )

An estimated 300,000 new cases of leukemia are diagnosed each year which is 2.8 percent of all new cancer cases and the prevalence is rising day by day. The most dangerous and deadly type of leukemia is acute lymphoblastic leukemia (ALL), which affects people of all age groups, including children and adults. In this study, we propose an automated system to detect various-shaped ALL blast cells from microscopic blood smears images using Deep Neural Networks (DNN). The system can detect multiple subtypes of ALL cells with an accuracy of 98 percent. Moreover, we have developed a telediagnosis software to provide real-time support to diagnose ALL subtypes from microscopic blood smears images.  ( 2 min )

We propose a data-driven mean-curvature solver for the level-set method. This work is the natural extension to $\mathbb{R}^3$ of our two-dimensional strategy in [arXiv:2201.12342][1] and the hybrid inference system of [DOI: 10.1016/j.jcp.2022.111291][2]. However, in contrast to [1,2], which built resolution-dependent neural-network dictionaries, here we develop a pair of models in $\mathbb{R}^3$, regardless of the mesh size. Our feedforward networks ingest transformed level-set, gradient, and curvature data to fix numerical mean-curvature approximations selectively for interface nodes. To reduce the problem's complexity, we have used the Gaussian curvature to classify stencils and fit our models separately to non-saddle and saddle patterns. Non-saddle stencils are easier to handle because they exhibit a curvature error distribution characterized by monotonicity and symmetry. While the latter has allowed us to train only on half the mean-curvature spectrum, the former has helped us blend the data-driven and the baseline estimations seamlessly near flat regions. On the other hand, the saddle-pattern error structure is less clear; thus, we have exploited no latent information beyond what is known. In this regard, we have trained our models on not only spherical but also sinusoidal and hyperbolic paraboloidal patches. Our approach to building their data sets is systematic but gleans samples randomly while ensuring well-balancedness. We have also resorted to standardization and dimensionality reduction as a preprocessing step and integrated regularization to minimize outliers. In addition, we leverage curvature rotation/reflection invariance to improve precision at inference time. Several experiments confirm that our proposed system can yield more accurate mean-curvature estimations than modern particle-based interface reconstruction and level-set schemes around under-resolved regions.  ( 3 min )

This paper investigates whether socioeconomic factors are important for the hurricane performance of the electric power system in Florida. The investigation is performed using the Random Forest classifier with Mean Decrease of Accuracy (MDA) for measuring the importance of a set of factors that include hazard intensity, time to recovery from maximum impact, and socioeconomic characteristics of the affected population. The data set (at county scale) for this study includes socioeconomic variables from the 5-year American Community Survey (ACS), as well as wind velocities, and outage data of five hurricanes including Alberto and Michael in 2018, Dorian in 2019, and Eta and Isaias in 2020. The study shows that socioeconomic variables are considerably important for the system performance model. This indicates that social disparities may exist in the occurrence of power outages, which directly impact the resilience of communities and thus require immediate attention.  ( 2 min )

We propose the Vision-and-Augmented-Language Transformer (VAuLT). VAuLT is an extension of the popular Vision-and-Language Transformer (ViLT), and improves performance on vision-and-language tasks that involve more complex text inputs than image captions while having minimal impact on training and inference efficiency. ViLT, importantly, enables efficient training and inference in vision-and-language tasks, achieved by using a shallow image encoder. However, it is pretrained on captioning and similar datasets, where the language input is simple, literal, and descriptive, therefore lacking linguistic diversity. So, when working with multimedia data in the wild, such as multimodal social media data (in our work, Twitter), there is a notable shift from captioning language data, as well as diversity of tasks, and we indeed find evidence that the language capacity of ViLT is lacking instead. The key insight of VAuLT is to propagate the output representations of a large language model like BERT to the language input of ViLT. We show that such a strategy significantly improves over ViLT on vision-and-language tasks involving richer language inputs and affective constructs, such as TWITTER-2015, TWITTER-2017, MVSA-Single and MVSA-Multiple, but lags behind pure reasoning tasks such as the Bloomberg Twitter Text-Image Relationship dataset. We have released the code for all our experiments at https://github.com/gchochla/VAuLT.  ( 3 min )

Recently, test time adaptation (TTA) has attracted increasing attention due to its power of handling the distribution shift issue in the real world. Unlike what has been developed for convolutional neural networks (CNNs) for image data, TTA is less explored for Graph Neural Networks (GNNs). There is still a lack of efficient algorithms tailored for graphs with irregular structures. In this paper, we present a novel test time adaptation strategy named Graph Adversarial Pseudo Group Contrast (GAPGC), for graph neural networks TTA, to better adapt to the Out Of Distribution (OOD) test data. Specifically, GAPGC employs a contrastive learning variant as a self-supervised task during TTA, equipped with Adversarial Learnable Augmenter and Group Pseudo-Positive Samples to enhance the relevance between the self-supervised task and the main task, boosting the performance of the main task. Furthermore, we provide theoretical evidence that GAPGC can extract minimal sufficient information for the main task from information theory perspective. Extensive experiments on molecular scaffold OOD dataset demonstrated that the proposed approach achieves state-of-the-art performance on GNNs.  ( 2 min )

Wildfires are increasingly impacting the environment, human health and safety. Among the top 20 California wildfires, those in 2020-2021 burned more acres than the last century combined. California's 2018 wildfire season caused damages of $148.5 billion. Among millions of impacted people, those living with disabilities (around 15% of the world population) are disproportionately impacted due to inadequate means of alerts. In this project, a multi-modal wildfire prediction and personalized early warning system has been developed based on an advanced machine learning architecture. Sensor data from the Environmental Protection Agency and historical wildfire data from 2012 to 2018 have been compiled to establish a comprehensive wildfire database, the largest of its kind. Next, a novel U-Convolutional-LSTM (Long Short-Term Memory) neural network was designed with a special architecture for extracting key spatial and temporal features from contiguous environmental parameters indicative of impending wildfires. Environmental and meteorological factors were incorporated into the database and classified as leading indicators and trailing indicators, correlated to risks of wildfire conception and propagation respectively. Additionally, geological data was used to provide better wildfire risk assessment. This novel spatio-temporal neural network achieved >97% accuracy vs. around 76% using traditional convolutional neural networks, successfully predicting 2018's five most devastating wildfires 5-14 days in advance. Finally, a personalized early warning system, tailored to individuals with sensory disabilities or respiratory exacerbation conditions, was proposed. This technique would enable fire departments to anticipate and prevent wildfires before they strike and provide early warnings for at-risk individuals for better preparation, thereby saving lives and reducing economic damages.  ( 3 min )

Invoking the manifold assumption in machine learning requires knowledge of the manifold's geometry and dimension, and theory dictates how many samples are required. However, in applications data are limited, sampling may not be uniform, and manifold properties are unknown and (possibly) non-pure; this implies that neighborhoods must adapt to the local structure. We introduce an algorithm for inferring adaptive neighborhoods for data given by a similarity kernel. Starting with a locally-conservative neighborhood (Gabriel) graph, we sparsify it iteratively according to a weighted counterpart. In each step, a linear program yields minimal neighborhoods globally and a volumetric statistic reveals neighbor outliers likely to violate manifold geometry. We apply our adaptive neighborhoods to non-linear dimensionality reduction, geodesic computation and dimension estimation. A comparison against standard algorithms using, e.g., k-nearest neighbors, demonstrates their usefulness.  ( 2 min )

Labeling and maintaining a commercial sound effects library is a time-consuming task exacerbated by databases that continually grow in size and undergo taxonomy updates. Moreover, sound search and taxonomy creation are complicated by non-uniform metadata, an unrelenting problem even with the introduction of a new industry standard, the Universal Category System. To address these problems and overcome dataset-dependent limitations that inhibit the successful training of deep learning models, we pursue representation learning to train generalized embeddings that can be used for a wide variety of sound effects libraries and are a taxonomy-agnostic representation of sound. We show that a task-specific but dataset-independent representation can successfully address data issues such as class imbalance, inconsistent class labels, and insufficient dataset size, outperforming established representations such as OpenL3. Detailed experimental results show the impact of metric learning approaches and different cross-dataset training methods on representational effectiveness.  ( 2 min )

This paper proposes a new approach to training recommender systems called deviation-based learning. The recommender and rational users have different knowledge. The recommender learns user knowledge by observing what action users take upon receiving recommendations. Learning eventually stalls if the recommender always suggests a choice: Before the recommender completes learning, users start following the recommendations blindly, and their choices do not reflect their knowledge. The learning rate and social welfare improve substantially if the recommender abstains from recommending a particular choice when she predicts that multiple alternatives will produce a similar payoff.

Recent advances in modeling large-scale complex physical systems have shifted research focuses towards data-driven techniques. However, generating datasets by simulating complex systems can require significant computational resources. Similarly, acquiring experimental datasets can prove difficult as well. For these systems, often computationally inexpensive, but in general inaccurate, models, known as the low-fidelity models, are available. In this paper, we propose a bi-fidelity modeling approach for complex physical systems, where we model the discrepancy between the true system's response and low-fidelity response in the presence of a small training dataset from the true system's response using a deep operator network (DeepONet), a neural network architecture suitable for approximating nonlinear operators. We apply the approach to model systems that have parametric uncertainty and are partially unknown. Three numerical examples are used to show the efficacy of the proposed approach to model uncertain and partially unknown complex physical systems.

State-of-the-art machine-learning based models are a popular choice for modelling and forecasting energy behaviour in buildings because given enough data, they are good at finding spatiotemporal patterns and structures even in scenarios where the complexity prohibits analytical descriptions. However, machine-learning based models for building energy forecasting have difficulty generalizing to out-of-sample scenarios that are not represented in the data because their architecture typically does not hold physical correspondence to mechanistic structures linked with governing phenomena of energy transfer. Thus, their ability to forecast for unseen initial conditions and boundary conditions wholly depends on the representativeness in the data, which is not guaranteed in building measurement data. Consequently, these limitations impede their application to real-world engineering applications such as energy management in Digital Twins. In response, we present a Domain Adaptation framework that aims to leverage well-known understanding of phenomenon governing energy behavior in buildings to forecast for out of sample scenarios beyond building measurement data. More specifically, we represent mechanistic knowledge of energy behavior using low-rank linear time-invariant state space models and subsequently leverage their governing structure to forecast for a target energy system for which only building measurement data is available. We achieve this by aligning the Physics-derived subspace that governs global state space behavior closer towards the target subspace derived from the measurement data. In this initial exploration we focus on linear energy systems; we test the subspace-based DA framework on a 1D heat conduction scenario by varying the thermophysical properties of the source and target systems to demonstrate the transferability of mechanistic models from Physics to measurement data.

The imputation of missing values represents a significant obstacle for many real-world data analysis pipelines. Here, we focus on time series data and put forward SSSD, an imputation model that relies on two emerging technologies, (conditional) diffusion models as state-of-the-art generative models and structured state space models as internal model architecture, which are particularly suited to capture long-term dependencies in time series data. We demonstrate that SSSD matches or even exceeds state-of-the-art probabilistic imputation and forecasting performance on a broad range of data sets and different missingness scenarios, including the challenging blackout-missing scenarios, where prior approaches failed to provide meaningful results.

Variational Bayes (VB) applied to latent Dirichlet allocation (LDA) has become the most popular algorithm for aspect modeling. While sufficiently successful in text topic extraction from large corpora, VB is less successful in identifying aspects in the presence of limited data. We present a novel variational message passing algorithm as applied to Latent Dirichlet Allocation (LDA) and compare it with the gold standard VB and collapsed Gibbs sampling. In situations where marginalisation leads to non-conjugate messages, we use ideas from sampling to derive approximate update equations. In cases where conjugacy holds, Loopy Belief update (LBU) (also known as Lauritzen-Spiegelhalter) is used. Our algorithm, ALBU (approximate LBU), has strong similarities with Variational Message Passing (VMP) (which is the message passing variant of VB). To compare the performance of the algorithms in the presence of limited data, we use data sets consisting of tweets and news groups. Additionally, to perform more fine grained evaluations and comparisons, we use simulations that enable comparisons with the ground truth via Kullback-Leibler divergence (KLD). Using coherence measures for the text corpora and KLD with the simulations we show that ALBU learns latent distributions more accurately than does VB, especially for smaller data sets.

Recently there has been significant theoretical progress on understanding the convergence and generalization of gradient-based methods on nonconvex losses with overparameterized models. Nevertheless, many aspects of optimization and generalization and in particular the critical role of small random initialization are not fully understood. In this paper, we take a step towards demystifying this role by proving that small random initialization followed by a few iterations of gradient descent behaves akin to popular spectral methods. We also show that this implicit spectral bias from small random initialization, which is provably more prominent for overparameterized models, also puts the gradient descent iterations on a particular trajectory towards solutions that are not only globally optimal but also generalize well. Concretely, we focus on the problem of reconstructing a low-rank matrix from a few measurements via a natural nonconvex formulation. In this setting, we show that the trajectory of the gradient descent iterations from small random initialization can be approximately decomposed into three phases: (I) a spectral or alignment phase where we show that that the iterates have an implicit spectral bias akin to spectral initialization allowing us to show that at the end of this phase the column space of the iterates and the underlying low-rank matrix are sufficiently aligned, (II) a saddle avoidance/refinement phase where we show that the trajectory of the gradient iterates moves away from certain degenerate saddle points, and (III) a local refinement phase where we show that after avoiding the saddles the iterates converge quickly to the underlying low-rank matrix. Underlying our analysis are insights for the analysis of overparameterized nonconvex optimization schemes that may have implications for computational problems beyond low-rank reconstruction.

We consider the fixed-budget best-arm identification problem with Normal reward distributions. In this problem, the forecaster is given $K$ arms (or treatments) and $T$ time steps. The forecaster attempts to find the best arm, defined by the largest mean, via an adaptive experiment conducted using an algorithm. The algorithm's performance is measured by the simple regret, that is, the quality of the estimated best arm. The frequentist simple regret can be exponentially small to $T$, whereas the Bayesian simple regret is polynomially small to $T$. This paper demonstrates that Bayes optimal algorithm, which minimizes the Bayesian simple regret, does not produce an exponential simple regret for some parameters, a finding that contrasts with the many results indicating the asymptotic equivalence of Bayesian and frequentist algorithms in the context of fixed sampling regimes. While the Bayes optimal algorithm is described in terms of a recursive equation that is virtually impossible to compute exactly, we establish the foundations for further analysis by introducing a key quantity that we call the expected Bellman improvement.  ( 2 min )

The journal impact factor (JIF) is often equated with journal quality and the quality of the peer review of the papers submitted to the journal. We examined the association between the content of peer review and JIF by analysing 10,000 peer review reports submitted to 1,644 medical and life sciences journals. Two researchers hand-coded a random sample of 2,000 sentences. We then trained machine learning models to classify all 187,240 sentences as contributing or not contributing to content categories. We examined the association between ten groups of journals defined by JIF deciles and the content of peer reviews using linear mixed-effects models, adjusting for the length of the review. The JIF ranged from 0.21 to 74.70. The length of peer reviews increased from the lowest (median number of words 185) to the JIF group (387 words). The proportion of sentences allocated to different content categories varied widely, even within JIF groups. For thoroughness, sentences on 'Materials and Methods' were more common in the highest JIF journals than in the lowest JIF group (difference of 7.8 percentage points; 95% CI 4.9 to 10.7%). The trend for 'Presentation and Reporting' went in the opposite direction, with the highest JIF journals giving less emphasis to such content (difference -8.9%; 95% CI -11.3 to -6.5%). For helpfulness, reviews for higher JIF journals devoted less attention to 'Suggestion and Solution' and provided fewer Examples than lower impact factor journals. No, or only small differences were evident for other content categories. In conclusion, peer review in journals with higher JIF tends to be more thorough in discussing the methods used but less helpful in terms of suggesting solutions and providing examples. Differences were modest and variability high, indicating that the JIF is a bad predictor for the quality of peer review of an individual manuscript.  ( 3 min )

A basic task in explainable AI (XAI) is to identify the most important features behind a prediction made by a black box function $f$. The insertion and deletion tests of Petsiuk et al. (2018) are used to judge the quality of algorithms that rank pixels from most to least important for a classification. Motivated by regression problems we establish a formula for their area under the curve (AUC) criteria in terms of certain main effects and interactions in an anchored decomposition of $f$. We find an expression for the expected value of the AUC under a random ordering of inputs to $f$ and propose an alternative area above a straight line for the regression setting. We use this criterion to compare feature importances computed by integrated gradients (IG) to those computed by Kernel SHAP (KS) as well as LIME, DeepLIFT, vanilla gradient and input$\times$gradient methods. KS has the best overall performance in two datasets we consider but it is very expensive to compute. We find that IG is nearly as good as KS while being much faster. Our comparison problems include some binary inputs that pose a challenge to IG because it must use values between the possible variable levels and so we consider ways to handle binary variables in IG. We show that sorting variables by their Shapley value does not necessarily give the optimal ordering for an insertion-deletion test. It will however do that for monotone functions of additive models, such as logistic regression.  ( 3 min )

Graph embedding techniques are a staple of modern graph learning research. When using embeddings for downstream tasks such as classification, information about their stability and robustness, i.e., their susceptibility to sources of noise, stochastic effects, or specific parameter choices, becomes increasingly important. As one of the most prominent graph embedding schemes, we focus on node2vec and analyse its embedding quality from multiple perspectives. Our findings indicate that embedding quality is unstable with respect to parameter choices, and we propose strategies to remedy this in practice.  ( 2 min )

Choice modeling has been a central topic in the study of individual preference or utility across many fields including economics, marketing, operations research, and psychology. While the vast majority of the literature on choice models has been devoted to the analytical properties that lead to managerial and policy-making insights, the existing methods to learn a choice model from empirical data are often either computationally intractable or sample inefficient. In this paper, we develop deep learning-based choice models under two settings of choice modeling: (i) feature-free and (ii) feature-based. Our model captures both the intrinsic utility for each candidate choice and the effect that the assortment has on the choice probability. Synthetic and real data experiments demonstrate the performances of proposed models in terms of the recovery of the existing choice models, sample complexity, assortment effect, architecture design, and model interpretation.  ( 2 min )

This paper presents a novel non-stationary dynamic pricing algorithm design, where pricing agents face incomplete demand information and market environment shifts. The agents run price experiments to learn about each product's demand curve and the profit-maximizing price, while being aware of market environment shifts to avoid high opportunity costs from offering sub-optimal prices. The proposed ACIDP extends information-directed sampling (IDS) algorithms from statistical machine learning to include microeconomic choice theory, with a novel pricing strategy auditing procedure to escape sub-optimal pricing after market environment shift. The proposed ACIDP outperforms competing bandit algorithms including Upper Confidence Bound (UCB) and Thompson sampling (TS) in a series of market environment shifts.  ( 2 min )

Estimating a Gibbs density function given a sample is an important problem in computational statistics and statistical learning. Although the well established maximum likelihood method is commonly used, it requires the computation of the partition function (i.e., the normalization of the density). This function can be easily calculated for simple low-dimensional problems but its computation is difficult or even intractable for general densities and high-dimensional problems. In this paper we propose an alternative approach based on Maximum A-Posteriori (MAP) estimators, we name Maximum Recovery MAP (MR-MAP), to derive estimators that do not require the computation of the partition function, and reformulate the problem as an optimization problem. We further propose a least-action type potential that allows us to quickly solve the optimization problem as a feed-forward hyperbolic neural network. We demonstrate the effectiveness of our methods on some standard data sets.  ( 2 min )

The Nystr\"om method is one of the most popular techniques for improving the scalability of kernel methods. However, it has not yet been derived for kernel PCA in line with classical PCA. In this paper we derive kernel PCA with the Nystr\"om method, thereby providing one of the few available options to make kernel PCA scalable. We further study its statistical accuracy through a finite-sample confidence bound on the empirical reconstruction error compared to the full method. The behaviours of the method and bound are illustrated through computer experiments on multiple real-world datasets. As an application of the method we present kernel principal component regression with the Nystr\"om method, as an alternative to Nystr\"om kernel ridge regression for efficient regularized regression with kernels.  ( 2 min )

Recently, invariant risk minimization (IRM) was proposed as a promising solution to address out-of-distribution (OOD) generalization. However, it is unclear when IRM should be preferred over the widely-employed empirical risk minimization (ERM) framework. In this work, we analyze both these frameworks from the perspective of sample complexity, thus taking a firm step towards answering this important question. We find that depending on the type of data generation mechanism, the two approaches might have very different finite sample and asymptotic behavior. For example, in the covariate shift setting we see that the two approaches not only arrive at the same asymptotic solution, but also have similar finite sample behavior with no clear winner. For other distribution shifts such as those involving confounders or anti-causal variables, however, the two approaches arrive at different asymptotic solutions where IRM is guaranteed to be close to the desired OOD solutions in the finite sample regime, while ERM is biased even asymptotically. We further investigate how different factors -- the number of environments, complexity of the model, and IRM penalty weight -- impact the sample complexity of IRM in relation to its distance from the OOD solutions  ( 3 min )

Data sets in which measurements of two (or more) types are obtained from a common set of samples arise in many scientific applications. A common problem in the exploratory analysis of such data is to identify groups of features of different data types that are strongly associated. A bimodule is a pair (A, B) of feature sets from two data types such that the aggregate cross-correlation between the features in A and those in B is large. A bimodule (A, B) is stable if A coincides with the set of features that have significant aggregate correlation with the features in B, and vice-versa. In this paper we propose and investigate an iterative testing-based procedure (BSP) to identify stable bimodules in bi-view data. We carry out a thorough simulation study to assess the performance of BSP, and present an extended application to the problem of expression quantitative trait loci (eQTL) analysis using recent data from the GTEx project. In addition, we apply BSP to climatology data to identify regions in North America where annual temperature variation affects precipitation.  ( 3 min )

We study the problem of best arm identification in a federated learning multi-armed bandit setup with a central server and multiple clients. Each client is associated with a multi-armed bandit in which each arm yields {\em i.i.d.}\ rewards following a Gaussian distribution with an unknown mean and known variance. The set of arms is assumed to be the same at all the clients. We define two notions of best arm -- local and global. The local best arm at a client is the arm with the largest mean among the arms local to the client, whereas the global best arm is the arm with the largest average mean across all the clients. We assume that each client can only observe the rewards from its local arms and thereby estimate its local best arm. The clients communicate with a central server on uplinks that entail a cost of $C\ge0$ units per usage per uplink. The global best arm is estimated at the server. The goal is to identify the local best arms and the global best arm with minimal total cost, defined as the sum of the total number of arm selections at all the clients and the total communication cost, subject to an upper bound on the error probability. We propose a novel algorithm {\sc FedElim} that is based on successive elimination and communicates only in exponential time steps and obtain a high probability instance-dependent upper bound on its total cost. The key takeaway from our paper is that for any $C\geq 0$ and error probabilities sufficiently small, the total number of arm selections (resp.\ the total cost) under {\sc FedElim} is at most~$2$ (resp.~$3$) times the maximum total number of arm selections under its variant that communicates in every time step. Additionally, we show that the latter is optimal in expectation up to a constant factor, thereby demonstrating that communication is almost cost-free in {\sc FedElim}. We numerically validate the efficacy of {\sc FedElim}.  ( 3 min )

Given a learning problem with real-world tradeoffs, which cost function should the model be trained to optimize? This is the metric selection problem in machine learning. Despite its practical interest, there is limited formal guidance on how to select metrics for machine learning applications. This thesis outlines metric elicitation as a principled framework for selecting the performance metric that best reflects implicit user preferences. Once specified, the evaluation metric can be used to compare and train models. In this manuscript, we formalize the problem of Metric Elicitation and devise novel strategies for eliciting classification performance metrics using pairwise preference feedback over classifiers. Specifically, we provide novel strategies for eliciting linear and linear-fractional metrics for binary and multiclass classification problems, which are then extended to a framework that elicits group-fair performance metrics in the presence of multiple sensitive groups. All the elicitation strategies that we discuss are robust to both finite sample and feedback noise, thus are useful in practice for real-world applications. Using the tools and the geometric characterizations of the feasible confusion statistics sets from the binary, multiclass, and multiclass-multigroup classification setups, we further provide strategies to elicit from a wider range of complex, modern multiclass metrics defined by quadratic functions of confusion statistics by exploiting their local linear structure. From application perspective, we also propose to use the metric elicitation framework in optimizing complex black box metrics that is amenable to deep network training. Lastly, to bring theory closer to practice, we conduct a preliminary real-user study that shows the efficacy of the metric elicitation framework in recovering the users' preferred performance metric in a binary classification setup.  ( 3 min )

We show that deep belief networks with binary hidden units can approximate any multivariate probability density under very mild integrability requirements on the parental density of the visible nodes. The approximation is measured in the $L^q$-norm for $q\in[1,\infty]$ ($q=\infty$ corresponding to the supremum norm) and in Kullback-Leibler divergence. Furthermore, we establish sharp quantitative bounds on the approximation error in terms of the number of hidden units.  ( 2 min )

Variational Bayes (VB) applied to latent Dirichlet allocation (LDA) has become the most popular algorithm for aspect modeling. While sufficiently successful in text topic extraction from large corpora, VB is less successful in identifying aspects in the presence of limited data. We present a novel variational message passing algorithm as applied to Latent Dirichlet Allocation (LDA) and compare it with the gold standard VB and collapsed Gibbs sampling. In situations where marginalisation leads to non-conjugate messages, we use ideas from sampling to derive approximate update equations. In cases where conjugacy holds, Loopy Belief update (LBU) (also known as Lauritzen-Spiegelhalter) is used. Our algorithm, ALBU (approximate LBU), has strong similarities with Variational Message Passing (VMP) (which is the message passing variant of VB). To compare the performance of the algorithms in the presence of limited data, we use data sets consisting of tweets and news groups. Using coherence measures we show that ALBU learns latent distributions more accurately than does VB, especially for smaller data sets.  ( 2 min )

Sipeed TinyMaix is an open-source machine learning library designed for microcontrollers. According to findings, it is lightweight enough to be compatible with Microchip ATmega328 MCU found in the Arduino UNO board and its many clones. The core code of TinyMax, which was created during a weekend hackathon, has roughly 400 lines, a binary size of about 3KB, and uses very little RAM, allowing it to execute the MNIST handwritten digit classification on an ATmega320 MCU with only 2KB SRAM and 32KB flash. Continue reading | Github submitted by /u/ai-lover [link] [comments]  ( 87 min )

submitted by /u/oatlover666 [link] [comments]  ( 99 min )

Titles says it all. I'm looking for either a program or website that can accomplish this, or even a github library or something that will allow me to create this. To clarify, I don't want to train the AI on thousands of images, I want to input a single image or a few images and have the AI make similar images. Basically the same as a Text-to-inage, but the input not being text but an image. Thanks! submitted by /u/yea_okay_dude [link] [comments]  ( 88 min )

submitted by /u/Phibit-exe [link] [comments]  ( 91 min )